UCSF

ZINC13126706

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 21 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) 3.86 5.56 -8.97 2 4 0 58 280.327 4
Hi High (pH 8-9.5) 3.86 6.35 -45.29 1 4 -1 61 279.319 4
Mid Mid (pH 6-8) 3.86 6.34 -56.84 1 4 -1 61 279.319 4

Activity (Go SEA)

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