UCSF

ZINC38530211

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 16 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) -0.84 6.63 -79.39 3 4 1 61 221.28 3
Hi High (pH 8-9.5) -0.84 3.14 -44.7 1 4 -1 55 219.264 3
Mid Mid (pH 6-8) -0.84 4.38 -32.76 2 4 0 60 220.272 3

Activity (Go SEA)

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