UCSF

ZINC34680945

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 30 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) 2.44 8.65 -17.76 1 8 0 84 408.458 4
Mid Mid (pH 6-8) 2.44 8.95 -49.41 2 8 1 85 409.466 4

Activity (Go SEA)

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