UCSF

ZINC42459046

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 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) 0.59 0.9 -35.02 3 3 1 40 187.307 4
Hi High (pH 8-9.5) 0.59 2.57 -29.29 3 3 1 40 187.307 4
Mid Mid (pH 6-8) 0.59 0.62 -1.77 2 3 0 38 186.299 4

Activity (Go SEA)

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