UCSF

ZINC13729073

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 32 No

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) 2.51 8.75 -75.34 1 8 0 93 440.496 9
Hi High (pH 8-9.5) 2.51 6.2 -65.12 0 8 -1 91 439.488 9
Mid Mid (pH 6-8) 2.95 7.36 -57.66 2 8 1 90 441.504 8
Mid Mid (pH 6-8) 1.92 8.54 -62.36 1 8 1 87 441.504 9

Activity (Go SEA)

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