UCSF

ZINC45654625

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 2.36 6.62 -38.84 2 4 1 37 296.479 4
Hi High (pH 8-9.5) 2.36 4.2 -7.12 1 4 0 36 295.471 4
Lo Low (pH 4.5-6) 2.36 5.23 -48.84 2 4 1 40 296.479 4

Activity (Go SEA)

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