UCSF

ZINC34940052

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 18 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) 2.17 6.92 -117.36 4 3 2 35 269.82 3
Hi High (pH 8-9.5) 2.17 4.34 -2.62 2 3 0 32 267.804 3
Mid Mid (pH 6-8) 2.17 5.09 -41.31 3 3 1 34 268.812 3
Mid Mid (pH 6-8) 2.17 6.58 -30.65 3 3 1 34 268.812 3

Activity (Go SEA)

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