UCSF

ZINC09313099

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 28 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) 3.23 7.5 -55.94 0 6 -1 79 445.289 7
Mid Mid (pH 6-8) 2.64 -1.01 -12.63 0 6 0 72 446.297 7
Mid Mid (pH 6-8) 3.67 6.58 -20.98 1 6 0 76 446.297 6

Activity (Go SEA)

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