UCSF

ZINC19634251

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 22 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) 3.17 10.95 -93 2 3 2 12 307.526 10
Hi High (pH 8-9.5) 3.17 8.25 -36.68 1 3 1 11 306.518 10
Mid Mid (pH 6-8) 3.17 10.74 -105.51 2 3 2 12 307.526 10

Activity (Go SEA)

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