UCSF

ZINC09110555

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 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) 4.26 10.26 -60.92 0 4 -1 60 348.422 6
Mid Mid (pH 6-8) 3.68 10.63 -9.93 0 4 0 54 349.43 6
Mid Mid (pH 6-8) 4.71 9.74 -17.95 1 4 0 58 349.43 5

Activity (Go SEA)

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