UCSF

ZINC40188057

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 1.32 6.65 -13.19 1 6 0 73 289.335 6
Mid Mid (pH 6-8) 1.32 7.14 -32.84 2 6 1 74 290.343 6

Activity (Go SEA)

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