UCSF

ZINC37240169

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 14 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) 1.00 2.63 -36.05 2 3 1 29 199.318 4
Hi High (pH 8-9.5) 1.00 1.43 -2.21 1 3 0 24 198.31 4
Lo Low (pH 4.5-6) 1.00 5.12 -103.55 3 3 2 30 200.326 4

Activity (Go SEA)

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