UCSF

ZINC36842588

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 2.46 4.78 -47.62 2 4 1 38 291.415 6
Lo Low (pH 4.5-6) 2.46 7.05 -126.8 3 4 2 40 292.423 6

Activity (Go SEA)

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