UCSF

ZINC45696049

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 13 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) 1.15 4.4 -45.38 2 3 1 50 185.291 7
Hi High (pH 8-9.5) 1.15 3.47 -8.05 1 3 0 45 184.283 7

Activity (Go SEA)

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