UCSF

ZINC52275581

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 13 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) 1.89 4.25 -33.55 2 2 1 20 183.319 3
Hi High (pH 8-9.5) 1.89 3.05 -0.82 1 2 0 15 182.311 3
Mid Mid (pH 6-8) 1.89 5.4 -30.6 2 2 1 16 183.319 3

Activity (Go SEA)

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