UCSF

ZINC45202530

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 32 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) 4.67 12.01 -52.63 3 5 1 63 448.612 7
Hi High (pH 8-9.5) 4.67 9.53 -12.85 2 5 0 61 447.604 7

Activity (Go SEA)

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