UCSF

ZINC43454014

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 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) -0.01 3.52 -48.81 2 4 1 40 242.387 6
Mid Mid (pH 6-8) -0.01 4.2 -38.26 2 4 1 37 242.387 6
Lo Low (pH 4.5-6) -0.01 5.55 -104.87 3 4 2 41 243.395 6

Activity (Go SEA)

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