UCSF

ZINC43240988

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 2.44 5.09 -42.71 3 3 1 40 283.461 4
Hi High (pH 8-9.5) 2.44 4.76 -2.38 2 3 0 38 282.453 4
Lo Low (pH 4.5-6) 2.44 6.56 -113.01 4 3 2 41 284.469 4

Activity (Go SEA)

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