UCSF

ZINC38200491

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 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) -3.88 2.66 -101.42 7 9 1 155 293.307 7
Hi High (pH 8-9.5) -3.88 1.89 -63 5 9 -1 153 291.291 7
Mid Mid (pH 6-8) -3.88 2.18 -62.13 6 9 0 154 292.299 7
Lo Low (pH 4.5-6) -3.88 3.13 -167.65 8 9 2 157 294.315 7

Activity (Go SEA)

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