UCSF

ZINC38000808

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 14 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) 0.16 0.7 -44.2 4 4 1 60 200.306 6
Hi High (pH 8-9.5) 0.16 -0.66 -42.01 4 4 1 63 200.306 6
Hi High (pH 8-9.5) 0.16 -1.4 -6.07 3 4 0 58 199.298 6
Lo Low (pH 4.5-6) 0.16 2.2 -116.37 5 4 2 64 201.314 6

Activity (Go SEA)

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