UCSF

ZINC04148160

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 21 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) 2.82 3.45 -13.97 1 6 0 78 373.228 5
Hi High (pH 8-9.5) 2.82 3.52 -46.96 0 6 -1 80 372.22 5
Lo Low (pH 4.5-6) 2.82 3.83 -33.55 2 6 1 79 374.236 5

Activity (Go SEA)

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