UCSF

ZINC44694079

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 19 No

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) 1.84 5.82 -45.47 2 6 1 81 289.739 9
Mid Mid (pH 6-8) 1.84 4.44 -6.91 1 6 0 76 288.731 9

Activity (Go SEA)

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