UCSF

ZINC51768241

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 19 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) 0.15 -0.17 -7.34 0 6 0 47 288.417 4
Mid Mid (pH 6-8) 0.15 2.21 -48.1 1 6 1 48 289.425 4
Lo Low (pH 4.5-6) 0.15 4.47 -112.73 2 6 2 49 290.433 4

Activity (Go SEA)

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