UCSF

ZINC21669286

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 23 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) 3.95 8.77 -13.18 1 3 0 42 334.322 3
Hi High (pH 8-9.5) 4.02 7.87 -35.12 0 3 -1 48 333.314 3

Activity (Go SEA)

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