UCSF

ZINC51783204

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 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 2.48 -36.5 2 3 1 29 199.318 4
Hi High (pH 8-9.5) 1.00 1.06 -2.05 1 3 0 24 198.31 4
Lo Low (pH 4.5-6) 1.00 4.76 -100.91 3 3 2 30 200.326 4
Lo Low (pH 4.5-6) 1.00 3.19 -30.08 2 3 1 26 199.318 4

Activity (Go SEA)

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