UCSF

ZINC44893693

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 20 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) 0.42 1.78 -9.08 1 6 0 59 280.372 4
Mid Mid (pH 6-8) 0.42 3.73 -40.63 2 6 1 61 281.38 4

Activity (Go SEA)

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