UCSF

ZINC36997073

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.33 8.32 -30.65 2 3 1 26 289.443 5
Hi High (pH 8-9.5) 3.33 6.06 -3.1 1 3 0 24 288.435 5
Lo Low (pH 4.5-6) 3.33 9.36 -107.46 3 3 2 30 290.451 5

Activity (Go SEA)

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