UCSF

ZINC62073725

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 16 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) 0.81 1.98 -39.93 2 4 1 39 222.312 4
Lo Low (pH 4.5-6) 0.81 3.24 -117.81 3 4 2 43 223.32 4
Lo Low (pH 4.5-6) 0.81 0.9 -43.27 2 4 1 42 222.312 4

Activity (Go SEA)

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