UCSF

ZINC19667070

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 17 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) 1.90 4.34 -8.26 1 4 0 48 233.315 6
Mid Mid (pH 6-8) 1.90 5.6 -53.87 2 4 1 53 234.323 6

Activity (Go SEA)

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