UCSF

ZINC37997017

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 21 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) 3.45 8.49 -33.14 2 3 1 26 289.443 6
Hi High (pH 8-9.5) 3.45 6.23 -3.34 1 3 0 24 288.435 6
Lo Low (pH 4.5-6) 3.45 9.65 -111.65 3 3 2 30 290.451 6

Activity (Go SEA)

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