UCSF

ZINC19722309

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 22 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) 1.62 4.35 -45.98 3 5 1 58 301.414 7
Lo Low (pH 4.5-6) 1.62 6.62 -108.61 4 5 2 59 302.422 7

Activity (Go SEA)

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