UCSF

ZINC04321378

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 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) 5.33 10.7 -5.74 0 2 0 22 307.437 3
Lo Low (pH 4.5-6) 5.33 10.89 -26.96 1 2 1 23 308.445 3

Activity (Go SEA)

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