UCSF

ZINC09458424

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 32 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) 2.51 7.09 -60.39 1 9 -1 136 439.444 10
Mid Mid (pH 6-8) 2.96 6.07 -35.5 2 9 0 133 440.452 9
Mid Mid (pH 6-8) 1.93 7.06 -27.4 1 9 0 130 440.452 10

Activity (Go SEA)

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