UCSF

ZINC58194431

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 25 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) 3.00 9.97 -11.22 0 5 0 51 340.471 6
Lo Low (pH 4.5-6) 3.00 10.43 -39.38 1 5 1 52 341.479 6

Activity (Go SEA)

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