UCSF

ZINC36379143

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 34 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) 5.14 14.81 -10.88 1 6 0 63 455.558 9
Lo Low (pH 4.5-6) 5.14 15.63 -36.43 2 6 1 65 456.566 9
Lo Low (pH 4.5-6) 5.14 14.51 -38.12 2 6 1 65 456.566 8

Activity (Go SEA)

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