UCSF

ZINC45320062

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2010 31 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) 6.08 16.19 -26.02 2 5 1 57 420.577 8
Mid Mid (pH 6-8) 6.08 16.1 -16.86 1 5 0 56 419.569 8
Mid Mid (pH 6-8) 6.08 15.92 -36.67 2 5 1 60 420.577 8
Lo Low (pH 4.5-6) 6.08 16.18 -84.29 3 5 2 61 421.585 8

Activity (Go SEA)

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