UCSF

ZINC34678239

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.70 4.87 -45.54 2 7 1 72 401.531 9
Mid Mid (pH 6-8) 2.70 4.92 -46.27 2 7 1 72 401.531 9
Mid Mid (pH 6-8) 2.70 2.62 -8.69 1 7 0 71 400.523 9

Activity (Go SEA)

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