UCSF

ZINC39971524

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 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) 2.36 7.18 -26.27 1 4 1 25 273.404 4
Hi High (pH 8-9.5) 2.36 6.44 -8.95 0 4 0 24 272.396 4
Mid Mid (pH 6-8) 2.36 8.4 -37.84 1 4 1 25 273.404 4
Mid Mid (pH 6-8) 2.36 9.14 -78.25 2 4 2 26 274.412 4
Mid Mid (pH 6-8) 2.36 9.45 -95.88 2 4 2 26 274.412 4

Activity (Go SEA)

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