UCSF

ZINC19480696

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 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) -0.03 5.7 -53.4 4 3 1 57 251.309 3
Mid Mid (pH 6-8) -0.03 5.35 -14.67 3 3 0 55 250.301 3

Activity (Go SEA)

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