UCSF

ZINC38609674

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 31 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) 5.39 9.35 -13.83 2 6 0 78 417.509 9
Mid Mid (pH 6-8) 5.39 10.11 -53.05 1 6 -1 81 416.501 9

Activity (Go SEA)

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