UCSF

ZINC12824077

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2008 31 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) 3.88 10.11 -26.35 2 7 0 89 419.529 5
Mid Mid (pH 6-8) 3.88 10.54 -33.93 3 7 1 90 420.537 5

Activity (Go SEA)

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