UCSF

ZINC40954417

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 19 Yes

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) 2.51 9.51 -75.09 4 5 2 61 267.421 6
Hi High (pH 8-9.5) 2.51 9.53 -85.98 4 5 2 61 267.421 6
Mid Mid (pH 6-8) 2.51 9.16 -37.75 3 5 1 59 266.413 6

Activity (Go SEA)

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