UCSF

ZINC36980033

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 2.36 8.12 -37.3 2 4 1 34 285.415 4
Lo Low (pH 4.5-6) 2.36 8.56 -76.47 3 4 2 36 286.423 4

Activity (Go SEA)

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