UCSF

ZINC28005425

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 28 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) 1.00 9.61 -109.22 2 6 0 82 387.455 6
Mid Mid (pH 6-8) -1.75 8.66 -78.15 3 6 1 85 388.463 5

Activity (Go SEA)

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