UCSF

ZINC37793914

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 18 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) 0.84 5.34 -53.25 1 6 -1 85 248.262 4
Mid Mid (pH 6-8) 0.84 5.65 -49.35 2 6 0 87 249.27 4
Lo Low (pH 4.5-6) 0.84 3.99 -33.27 3 6 1 84 250.278 4

Activity (Go SEA)

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