UCSF

ZINC36984020

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 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) 1.39 1.34 -43.94 3 3 1 34 254.32 6
Mid Mid (pH 6-8) 1.39 3.5 -102.65 4 3 2 35 255.328 6
Mid Mid (pH 6-8) 1.39 3.67 -120.15 4 3 2 35 255.328 6

Activity (Go SEA)

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