UCSF

ZINC41809535

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 15 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) 0.91 6.59 -34.66 2 3 0 57 292.198 5
Mid Mid (pH 6-8) 0.91 5.3 -40.62 1 3 -1 52 291.19 5

Activity (Go SEA)

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