UCSF

ZINC35609615

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 18 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) 0.31 -1.25 -49.08 4 5 1 71 256.37 3
Mid Mid (pH 6-8) 0.31 -1.06 -7.47 3 5 0 70 255.362 3
Lo Low (pH 4.5-6) 0.31 1.04 -110.83 5 5 2 73 257.378 3

Activity (Go SEA)

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