UCSF

ZINC36190358

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) 3.84 11.21 -43.07 2 4 1 37 380.556 8
Mid Mid (pH 6-8) 3.84 8.96 -8.34 1 4 0 36 379.548 8
Mid Mid (pH 6-8) 3.84 11.3 -44.27 2 4 1 37 380.556 8

Activity (Go SEA)

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