UCSF

ZINC09234693

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 26 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) 4.01 6.32 -35.95 1 8 -1 124 350.31 5
Mid Mid (pH 6-8) 4.01 6.07 -50.16 1 8 -1 124 350.31 5
Mid Mid (pH 6-8) 3.56 7.96 -17.11 2 8 0 121 351.318 5

Activity (Go SEA)

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