UCSF

ZINC40474000

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 20 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) 2.49 11.03 -112.09 2 3 2 24 267.376 4
Hi High (pH 8-9.5) 2.49 8.72 -31.64 1 3 1 22 266.368 4
Hi High (pH 8-9.5) 2.49 8.08 -10.1 0 3 0 21 265.36 4
Mid Mid (pH 6-8) 2.49 10.42 -44.59 1 3 1 22 266.368 4

Activity (Go SEA)

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