UCSF

ZINC41632334

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 4.42 8.6 -31.38 2 2 1 16 307.527 6
Mid Mid (pH 6-8) 4.42 9.88 -94.4 3 2 2 21 308.535 6
Mid Mid (pH 6-8) 4.42 7.75 -37.07 2 2 1 20 307.527 6

Activity (Go SEA)

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