UCSF

ZINC43253701

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 1.62 0.44 -43.42 5 4 1 74 288.824 4
Hi High (pH 8-9.5) 1.62 1.82 -30.16 5 4 1 74 288.824 4
Hi High (pH 8-9.5) 1.62 0.09 -6.41 4 4 0 72 287.816 4
Lo Low (pH 4.5-6) 1.62 2.19 -116.52 6 4 2 75 289.832 4

Activity (Go SEA)

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