UCSF

ZINC45654287

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) 2.48 8.49 -34.24 2 3 1 30 291.459 3
Hi High (pH 8-9.5) 2.48 6.06 -3.55 1 3 0 28 290.451 3
Lo Low (pH 4.5-6) 2.48 7.11 -37.07 2 3 1 33 291.459 3

Activity (Go SEA)

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