UCSF

ZINC22667320

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 33 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) 4.20 11.98 -18.98 0 6 0 72 487.691 6
Mid Mid (pH 6-8) 4.20 12.42 -39.78 1 6 1 74 488.699 6

Activity (Go SEA)

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