UCSF

ZINC04541124

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 28 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) 2.53 0.36 -14.34 1 7 0 89 385.416 9
Mid Mid (pH 6-8) 1.95 0.2 -19.5 0 7 0 86 385.416 9

Activity (Go SEA)

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