UCSF

ZINC40410473

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 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) 0.58 3.23 -109.38 4 3 2 42 188.315 6
Hi High (pH 8-9.5) 0.58 0.7 -2.26 2 3 0 33 186.299 6
Mid Mid (pH 6-8) 0.58 1.91 -33.84 3 3 1 38 187.307 6
Mid Mid (pH 6-8) 0.58 2.04 -35.01 3 3 1 38 187.307 6

Activity (Go SEA)

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