UCSF

ZINC37315690

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 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) 1.75 7.25 -31.21 2 5 1 51 289.403 6
Hi High (pH 8-9.5) 1.75 6.81 -16.03 1 5 0 50 288.395 6
Lo Low (pH 4.5-6) 1.75 8.44 -98.83 3 5 2 55 290.411 6

Activity (Go SEA)

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