UCSF

ZINC11914358

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 31 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) 5.11 2.05 -11.08 1 5 0 67 425.5 9
Mid Mid (pH 6-8) 4.53 1.96 -16.52 0 5 0 64 425.5 9

Activity (Go SEA)

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