UCSF

ZINC36233123

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 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) 1.48 2.44 -55.23 4 5 1 79 276.341 2
Hi High (pH 8-9.5) 1.55 -0.69 -45.75 2 5 -1 81 274.325 2
Mid Mid (pH 6-8) 1.55 0.98 -65.05 3 5 0 85 275.333 2
Mid Mid (pH 6-8) 1.48 0.74 -10.26 3 5 0 74 275.333 2

Activity (Go SEA)

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