UCSF

ZINC34575166

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 2.88 8.8 -45.45 1 3 1 21 260.386 1
Mid Mid (pH 6-8) 2.88 6.8 -7.58 0 3 0 19 259.378 1

Activity (Go SEA)

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