UCSF

ZINC08695364

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2007 35 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) 5.21 11.13 -46.23 3 6 1 82 483.604 13
Mid Mid (pH 6-8) 4.63 11.78 -55.49 2 6 1 79 483.604 13

Activity (Go SEA)

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