UCSF

ZINC37822789

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 0.20 2.41 -44.86 3 4 1 51 238.355 4
Hi High (pH 8-9.5) 0.20 2.12 -7.02 2 4 0 50 237.347 4
Lo Low (pH 4.5-6) 0.20 4.65 -100.72 4 4 2 52 239.363 4

Activity (Go SEA)

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