UCSF

ZINC06516802

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2006 28 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) 3.11 12.59 -16.91 0 8 0 88 384.436 5
Mid Mid (pH 6-8) 3.11 13.08 -53.41 1 8 1 89 385.444 5

Activity (Go SEA)

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