UCSF

ZINC44382977

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 15 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) 2.31 7.7 -107.75 3 2 2 21 273.218 6
Hi High (pH 8-9.5) 2.31 6.34 -31.5 2 2 1 16 272.21 6
Hi High (pH 8-9.5) 2.31 3.97 -2.44 1 2 0 15 271.202 6
Mid Mid (pH 6-8) 2.31 5.33 -36.2 2 2 1 20 272.21 6

Activity (Go SEA)

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