UCSF

ZINC40953741

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 21 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) 0.27 8.84 -87.75 4 7 2 67 293.419 2
Hi High (pH 8-9.5) 0.27 4.12 -7.02 2 7 0 65 291.403 2
Mid Mid (pH 6-8) 0.27 6.49 -42.26 3 7 1 66 292.411 2

Activity (Go SEA)

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