UCSF

ZINC19722292

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 14 Yes

CAS Number: 5072-27-5

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) 0.99 2.41 -57.54 4 3 1 57 193.27 3
Hi High (pH 8-9.5) 0.99 2.01 -9.99 3 3 0 55 192.262 3

Activity (Go SEA)

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