UCSF

ZINC09375130

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 36 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) 3.99 10.62 -76.06 2 8 0 104 496.604 12
Hi High (pH 8-9.5) 3.99 8.08 -59.69 1 8 -1 102 495.596 12
Mid Mid (pH 6-8) 3.41 -0.28 -48.64 2 8 1 97 497.612 12
Mid Mid (pH 6-8) 4.44 9.87 -44.25 3 8 1 101 497.612 11

Activity (Go SEA)

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