UCSF

ZINC44382666

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.35 5.7 -34.31 3 2 1 30 193.314 4
Mid Mid (pH 6-8) 1.35 4.41 -39.41 3 2 1 31 193.314 4
Lo Low (pH 4.5-6) 1.35 6.03 -118.88 4 2 2 32 194.322 4

Activity (Go SEA)

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