UCSF

ZINC16577465

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 21 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) 2.11 8.69 -16.93 1 5 0 72 302.403 2
Mid Mid (pH 6-8) 2.11 9.17 -41.78 2 5 1 73 303.411 2

Activity (Go SEA)

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