UCSF

ZINC09354949

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 35 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) 6.71 13.51 -38.59 3 5 1 69 481.597 7
Mid Mid (pH 6-8) 6.71 12.98 -12.12 2 5 0 67 480.589 7
Mid Mid (pH 6-8) 6.71 12.98 -11.93 2 5 0 67 480.589 7

Activity (Go SEA)

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