UCSF

ZINC04790988

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 33 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) 4.08 10.67 -16.21 1 8 0 83 447.491 7
Mid Mid (pH 6-8) 4.08 11.12 -35.59 2 8 1 85 448.499 7

Activity (Go SEA)

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