UCSF

ZINC39952774

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 26 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) 3.69 8.58 -49.96 0 6 -1 73 361.462 6
Mid Mid (pH 6-8) 3.69 10.8 -77.48 1 6 0 74 362.47 6

Activity (Go SEA)

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