UCSF

ZINC13990447

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 28 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) 3.20 8.21 -10.62 0 5 0 44 378.472 9
Mid Mid (pH 6-8) 3.20 9.18 -35.32 1 5 1 45 379.48 9
Lo Low (pH 4.5-6) 3.20 11.65 -104.48 2 5 2 46 380.488 9

Activity (Go SEA)

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