UCSF

ZINC31092367

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 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) 3.96 8.94 -13.21 1 3 0 42 294.398 3
Lo Low (pH 4.5-6) 3.96 9.35 -41.02 2 3 1 43 295.406 3

Activity (Go SEA)

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