UCSF

ZINC01286764

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 25 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.24 7.63 -8.56 2 5 0 78 349.415 1
Ref Reference (pH 7) 5.24 7.3 -9.09 2 5 0 78 349.415 1
Hi High (pH 8-9.5) 6.15 3.52 -111.52 0 5 -2 84 347.399 1
Hi High (pH 8-9.5) 6.15 4.03 -109.83 0 5 -2 84 347.399 1
Mid Mid (pH 6-8) 5.69 5.51 -47.86 1 5 -1 81 348.407 1
Mid Mid (pH 6-8) 5.69 5.37 -45.75 1 5 -1 81 348.407 1
Mid Mid (pH 6-8) 5.69 5.68 -44.22 1 5 -1 81 348.407 1
Mid Mid (pH 6-8) 5.69 6.02 -46.61 1 5 -1 81 348.407 1

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )