UCSF

ZINC37999446

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 1.15 4.8 -8.94 1 5 0 56 245.282 3
Lo Low (pH 4.5-6) 1.15 5.26 -29.62 2 5 1 58 246.29 3

Activity (Go SEA)

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