UCSF

ZINC36156633

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 28 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) 3.40 8.3 -10.21 2 5 0 69 397.544 6
Mid Mid (pH 6-8) 3.40 10.05 -47.98 3 5 1 70 398.552 6

Activity (Go SEA)

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