UCSF

ZINC34603607

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 29 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) 0.56 10.69 -113.55 3 6 0 93 403.429 3
Mid Mid (pH 6-8) 0.56 8.68 -66.2 4 6 1 90 404.437 3
Lo Low (pH 4.5-6) -2.18 7.63 -85.51 4 6 1 96 404.437 2

Activity (Go SEA)

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