UCSF

ZINC09239840

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 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) 3.60 9.51 -59.63 0 7 -1 96 454.886 7
Mid Mid (pH 6-8) 4.05 0.73 -18.95 1 7 0 93 455.894 6
Mid Mid (pH 6-8) 3.02 0.21 -12.46 0 7 0 89 455.894 7

Activity (Go SEA)

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