UCSF

ZINC23326838

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 5.13 11.62 -10.24 1 5 0 48 430.596 6
Mid Mid (pH 6-8) 5.13 13.84 -51.98 2 5 1 50 431.604 6

Activity (Go SEA)

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