UCSF

ZINC33323021

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2009 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) -0.38 4.48 -49.45 2 6 -1 90 272.284 3
Mid Mid (pH 6-8) -0.38 4.59 -47.14 3 6 0 95 273.292 3
Lo Low (pH 4.5-6) -0.38 5.95 -66.99 4 6 1 96 274.3 3

Activity (Go SEA)

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