UCSF

ZINC00983381

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 22 Yes

Download: MOL2 SDF SMILES Flexibase

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) 4.69 11.13 -10.35 0 3 0 30 323.446 4
Mid Mid (pH 6-8) 4.69 11.57 -27.57 1 3 1 31 324.454 4

Activity (Go SEA)

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