UCSF

ZINC34654262

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 16 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) 1.35 2.29 -53.28 3 4 1 65 243.352 5
Hi High (pH 8-9.5) 1.35 1.89 -9.62 2 4 0 63 242.344 5

Activity (Go SEA)

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