UCSF

ZINC09272364

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 33 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) 4.64 11.51 -59.59 0 6 -1 79 450.555 10
Mid Mid (pH 6-8) 5.08 9.95 -28.03 1 6 0 76 451.563 9
Mid Mid (pH 6-8) 4.05 10.96 -21.4 0 6 0 73 451.563 10

Activity (Go SEA)

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