UCSF

ZINC11858352

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2008 30 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) 2.51 -5.02 -24.85 1 8 0 110 464.443 6
Hi High (pH 8-9.5) 2.51 -4.44 -60.65 0 8 -1 112 463.435 6

Activity (Go SEA)

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