UCSF

ZINC34601478

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 35 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) 6.81 17.12 -9.17 0 5 0 42 472.629 10
Mid Mid (pH 6-8) 6.81 17.23 -24.92 1 5 0 43 473.637 10
Lo Low (pH 4.5-6) 6.81 17.3 -76.45 2 5 0 44 474.645 10

Activity (Go SEA)

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