UCSF

ZINC43412065

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 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) -0.66 1.4 -34.38 2 6 1 76 214.245 3
Hi High (pH 8-9.5) -0.20 -3.86 -34.93 0 6 -1 78 212.229 3
Mid Mid (pH 6-8) -0.20 -1.53 -49.56 1 6 0 79 213.237 3

Activity (Go SEA)

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