UCSF

ZINC30545140

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2009 31 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) 3.12 9.8 -48.89 2 6 1 57 422.549 11
Lo Low (pH 4.5-6) 3.12 11.15 -142.77 3 6 2 62 423.557 11

Activity (Go SEA)

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