UCSF

ZINC31288059

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2009 26 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) 1.35 6.09 -19.38 1 6 0 72 357.385 7
Lo Low (pH 4.5-6) 1.35 6.51 -37.8 2 6 1 73 358.393 7

Activity (Go SEA)

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