UCSF

ZINC36353413

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 28 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) 3.84 4.11 -55.85 1 7 -1 99 376.44 3
Ref Reference (pH 7) 3.65 6.8 -53.13 1 7 -1 96 376.44 3
Lo Low (pH 4.5-6) 3.38 5.98 -13.37 2 7 0 96 377.448 3
Lo Low (pH 4.5-6) 3.19 8.62 -14.27 2 7 0 93 377.448 3

Activity (Go SEA)

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