UCSF

ZINC48362126

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 22 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) 0.92 5.58 -41.69 2 6 1 54 302.402 5
Hi High (pH 8-9.5) 0.92 3.21 -11.27 1 6 0 53 301.394 5
Lo Low (pH 4.5-6) 0.92 6.09 -75.99 3 6 2 55 303.41 5

Activity (Go SEA)

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