UCSF

ZINC36878241

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 1.17 5.34 -88.35 5 4 2 70 246.358 7
Mid Mid (pH 6-8) 1.17 4.89 -47.46 4 4 1 69 245.35 7

Activity (Go SEA)

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