UCSF

ZINC23219299

Substance Information

In ZINC since Heavy atoms Benign functionality
December 27th, 2008 26 No

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) 3.70 10.03 -46.75 1 8 -1 110 378.43 7
Mid Mid (pH 6-8) 3.70 9.07 -10.35 2 8 0 108 379.438 7

Activity (Go SEA)

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