UCSF

ZINC43909759

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 20 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) 3.53 8.88 -35.96 2 2 1 20 269.412 6
Hi High (pH 8-9.5) 3.53 7.19 -2.93 1 2 0 15 268.404 6
Lo Low (pH 4.5-6) 3.53 10.82 -124.05 3 2 2 21 270.42 6

Activity (Go SEA)

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