UCSF

ZINC12527281

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 22 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) 2.54 6.43 -18.22 1 5 0 68 292.342 2
Mid Mid (pH 6-8) 2.61 4.21 -32.67 2 5 1 73 293.35 2
Lo Low (pH 4.5-6) 2.55 6.2 -34.32 2 5 1 69 293.35 2

Activity (Go SEA)

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