UCSF

ZINC36779666

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 No

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) 1.51 4.56 -44.54 3 3 1 46 255.338 4
Mid Mid (pH 6-8) 1.51 3.37 -12.62 2 3 0 41 254.33 4

Activity (Go SEA)

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