UCSF

ZINC42462765

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.65 2.7 -29.32 2 3 1 28 215.361 4
Hi High (pH 8-9.5) 1.65 0.55 -2.53 1 3 0 27 214.353 4
Lo Low (pH 4.5-6) 1.65 2.78 -33.1 2 3 1 28 215.361 4
Lo Low (pH 4.5-6) 1.65 4.97 -105.01 3 3 2 29 216.369 4

Activity (Go SEA)

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