UCSF

ZINC09070056

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 23 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) 3.11 2.53 -10.07 2 6 0 81 328.246 4
Ref Reference (pH 7) 3.11 3.02 -10.3 2 6 0 81 328.246 4
Mid Mid (pH 6-8) 3.11 3.91 -43.66 1 6 -1 83 327.238 4
Mid Mid (pH 6-8) 2.79 3.58 -48.11 0 6 -1 79 327.238 4
Mid Mid (pH 6-8) 3.11 3.45 -41.82 1 6 -1 83 327.238 4

Activity (Go SEA)

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