UCSF

ZINC42585380

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 17 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) 3.49 9.08 -51.96 0 3 -1 43 232.303 5
Mid Mid (pH 6-8) 3.49 9.48 -61.23 1 3 0 45 233.311 5

Activity (Go SEA)

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