UCSF

ZINC34603331

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 30 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) 0.97 9.26 -109.72 3 7 0 102 421.444 5
Mid Mid (pH 6-8) 0.97 7.25 -62.91 4 7 1 99 422.452 5
Lo Low (pH 4.5-6) -1.78 7.56 -90.77 4 7 1 105 422.452 4

Activity (Go SEA)

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