UCSF

ZINC13683805

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 33 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) 1.14 5.84 -53.86 0 9 -1 112 450.471 8
Mid Mid (pH 6-8) 1.58 7.12 -66.99 2 9 1 110 452.487 7
Mid Mid (pH 6-8) 0.55 8.09 -72.36 1 9 1 107 452.487 8
Mid Mid (pH 6-8) 1.14 8.19 -71.56 1 9 0 113 451.479 8

Activity (Go SEA)

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