UCSF

ZINC36775851

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 0.48 6.15 -45.18 3 3 1 44 270.4 6
Hi High (pH 8-9.5) 0.48 5.71 -4.31 2 3 0 42 269.392 6
Lo Low (pH 4.5-6) 0.48 6.6 -93.93 4 3 2 45 271.408 6

Activity (Go SEA)

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