UCSF

ZINC37803318

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 0.94 6.45 -36.21 2 4 1 50 260.361 4
Hi High (pH 8-9.5) 0.94 5.36 -7.31 1 4 0 45 259.353 4
Lo Low (pH 4.5-6) 0.94 6.11 -81.26 3 4 2 51 261.369 4

Activity (Go SEA)

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