UCSF

ZINC34004058

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2009 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) 2.31 5.27 -82.04 4 5 0 97 296.411 5
Mid Mid (pH 6-8) 2.31 5.35 -54.59 3 5 -1 95 295.403 5
Lo Low (pH 4.5-6) 2.31 3.28 -53.91 5 5 1 94 297.419 5

Activity (Go SEA)

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