UCSF

ZINC04320171

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 27 No

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) 0.36 3.39 -14.12 4 10 0 138 372.385 5
Mid Mid (pH 6-8) 0.36 3.93 -33.55 5 10 1 139 373.393 5

Activity (Go SEA)

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