UCSF

ZINC36233236

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) 1.69 1.56 -62.45 3 6 1 92 297.385 2
Hi High (pH 8-9.5) 0.76 -0.33 -46.82 1 6 -1 86 295.369 3
Mid Mid (pH 6-8) 0.76 1.1 -65.24 2 6 0 91 296.377 3
Mid Mid (pH 6-8) 1.69 0.18 -14.66 2 6 0 87 296.377 2

Activity (Go SEA)

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