UCSF

ZINC36874226

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 2.71 8.23 -48.37 3 3 1 45 270.4 2
Mid Mid (pH 6-8) 2.71 8.56 -97.64 4 3 2 47 271.408 2

Activity (Go SEA)

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