UCSF

ZINC37996726

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 16 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) 1.87 5.42 -8.24 1 3 0 45 218.3 7
Mid Mid (pH 6-8) 1.87 6.78 -55.26 2 3 1 50 219.308 7

Activity (Go SEA)

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