UCSF

ZINC12544623

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 31 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) 1.97 8.7 -21.66 2 9 0 106 417.473 3
Mid Mid (pH 6-8) 1.97 9.14 -35.04 3 9 1 107 418.481 3
Mid Mid (pH 6-8) 1.97 9.12 -42.06 3 9 1 107 418.481 3
Mid Mid (pH 6-8) 1.97 9.55 -70.22 4 9 2 109 419.489 3

Activity (Go SEA)

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