UCSF

ZINC04565926

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2005 40 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) 2.96 9.62 -24.18 2 13 0 181 560.508 13
Mid Mid (pH 6-8) 2.96 10.4 -69 1 13 -1 184 559.5 13

Activity (Go SEA)

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