UCSF

ZINC13482165

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 22 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) 2.88 6.18 -15.61 1 5 0 72 289.294 2
Lo Low (pH 4.5-6) 3.32 7.07 -95.5 3 5 2 74 291.31 1

Activity (Go SEA)

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