UCSF

ZINC36381405

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 20 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) 3.30 4.82 -10.05 2 3 0 45 268.291 3
Lo Low (pH 4.5-6) 3.30 6.07 -31.6 2 3 0 49 268.291 3

Activity (Go SEA)

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