UCSF

ZINC44269353

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 3.89 7.91 -26.4 3 3 1 45 264.78 3
Mid Mid (pH 6-8) 3.89 7.93 -6.57 2 3 0 44 263.772 3

Activity (Go SEA)

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