UCSF

ZINC44679159

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) -0.61 4.58 -94.07 5 5 2 74 286.379 3
Mid Mid (pH 6-8) -0.61 4.17 -43.87 4 5 1 72 285.371 3

Activity (Go SEA)

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