UCSF

ZINC42747376

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 1.47 7.61 -30.91 3 2 1 30 247.406 3
Hi High (pH 8-9.5) 1.47 6.34 -38.61 3 2 1 31 247.406 3
Mid Mid (pH 6-8) 1.47 7.9 -111.64 4 2 2 32 248.414 3

Activity (Go SEA)

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