UCSF

ZINC44722295

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 13 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) 0.34 0.4 -37.73 3 3 1 40 185.291 4
Mid Mid (pH 6-8) 0.34 1.61 -30.64 3 3 1 37 185.291 4
Lo Low (pH 4.5-6) 0.34 2.8 -104.32 4 3 2 41 186.299 4

Activity (Go SEA)

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