UCSF

ZINC34962053

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 No

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) 2.81 6.82 -10.62 1 3 0 42 257.362 1
Mid Mid (pH 6-8) 3.41 6.76 -10.25 2 3 0 44 257.362 1
Lo Low (pH 4.5-6) 3.41 7.21 -22.43 3 3 1 45 258.37 1

Activity (Go SEA)

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