UCSF

ZINC02614020

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 25 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) 3.73 6.49 -20.02 2 6 0 88 392.531 4
Mid Mid (pH 6-8) 4.18 5.12 -51.55 1 6 -1 91 391.523 4

Activity (Go SEA)

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