UCSF

ZINC09173500

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 39 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) 5.05 13.89 -73.58 1 8 0 93 538.685 15
Hi High (pH 8-9.5) 5.05 11.68 -58.51 0 8 -1 91 537.677 15
Mid Mid (pH 6-8) 5.05 13.55 -46.03 2 8 1 90 539.693 15
Mid Mid (pH 6-8) 4.47 2.25 -49.07 1 8 1 86 539.693 15

Activity (Go SEA)

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