UCSF

ZINC14000472

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 23 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) 2.48 8.58 -45.7 2 4 1 37 336.525 6
Mid Mid (pH 6-8) 2.48 6.27 -8.1 1 4 0 36 335.517 6

Activity (Go SEA)

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