UCSF

ZINC43445831

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 0.59 2.93 -40.25 4 5 1 67 251.354 5
Hi High (pH 8-9.5) 0.59 0.72 -7.4 3 5 0 66 250.346 5
Mid Mid (pH 6-8) 0.59 3.23 -91.44 5 5 2 68 252.362 5
Mid Mid (pH 6-8) 0.59 1.02 -28.81 4 5 1 67 251.354 5

Activity (Go SEA)

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