UCSF

ZINC52073347

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2010 18 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) 3.02 9.4 -33.08 1 3 1 31 254.325 6
Mid Mid (pH 6-8) 3.02 7.82 -4.67 0 3 0 30 253.317 6

Activity (Go SEA)

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