UCSF

ZINC45169081

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 33 Yes

Download: MOL2 SDF SMILES Flexibase

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) 5.20 14.31 -51.49 3 3 1 42 434.607 9
Mid Mid (pH 6-8) 5.20 12.95 -7.51 2 3 0 37 433.599 9
Mid Mid (pH 6-8) 5.20 14.16 -51.22 3 3 1 42 434.607 9
Mid Mid (pH 6-8) 5.20 15.51 -103.84 4 3 2 46 435.615 9

Activity (Go SEA)

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