UCSF

ZINC53658037

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 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) 1.44 8.11 -78.15 3 4 2 39 280.46 7
Mid Mid (pH 6-8) 1.44 7.64 -45.05 2 4 1 38 279.452 7
Mid Mid (pH 6-8) 1.44 9.86 -116.5 3 4 2 39 280.46 7
Lo Low (pH 4.5-6) 1.44 10.34 -177.01 4 4 3 40 281.468 7

Activity (Go SEA)

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