UCSF

ZINC34555350

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 19 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) 1.13 6.28 -10.3 1 5 0 65 265.309 9
Mid Mid (pH 6-8) 1.13 7.24 -44.72 2 5 1 69 266.317 9

Activity (Go SEA)

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