UCSF

ZINC44676725

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 16 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) -0.70 -1.17 -53.65 3 6 1 75 252.36 7
Mid Mid (pH 6-8) -0.70 -2.38 -9.46 2 6 0 71 251.352 7

Activity (Go SEA)

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