UCSF

ZINC06972403

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2006 21 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) 1.11 8.08 -15.19 0 8 0 88 294.311 4
Mid Mid (pH 6-8) 1.11 8.57 -51.11 1 8 1 89 295.319 4

Activity (Go SEA)

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