UCSF

ZINC45662430

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 1.06 3.57 -42.52 3 5 1 58 281.424 4
Lo Low (pH 4.5-6) 1.06 5.19 -120.55 4 5 2 59 282.432 4

Activity (Go SEA)

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