UCSF

ZINC34681529

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 36 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) 5.34 12.49 -17.24 1 6 0 58 482.559 7
Mid Mid (pH 6-8) 5.34 14.71 -53.03 2 6 1 59 483.567 7

Activity (Go SEA)

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