UCSF

ZINC36747301

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 15 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) -1.48 -2.78 -42.37 5 6 1 98 218.277 8
Hi High (pH 8-9.5) -1.48 -3.93 -12.69 4 6 0 93 217.269 8

Activity (Go SEA)

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