UCSF

ZINC29755223

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2009 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) 0.90 3.05 -14.67 2 6 0 74 304.394 5
Lo Low (pH 4.5-6) 0.90 3.28 -44.82 3 6 1 76 305.402 5

Activity (Go SEA)

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