UCSF

ZINC35054390

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 17 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) 2.47 6.57 -33.83 2 3 1 30 300.22 4
Mid Mid (pH 6-8) 2.47 5.56 -42.52 2 3 1 33 300.22 4
Lo Low (pH 4.5-6) 2.47 7.76 -107.62 3 3 2 34 301.228 4

Activity (Go SEA)

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