UCSF

ZINC19852306

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 17 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) -0.65 1.26 -46.51 1 6 -1 82 243.283 7
Mid Mid (pH 6-8) -0.46 0.88 -61.38 2 6 0 86 244.291 7
Lo Low (pH 4.5-6) -0.65 1.45 -49.51 3 6 1 80 245.299 7

Activity (Go SEA)

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