UCSF

ZINC09373878

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 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) 4.10 12.09 -55.32 0 6 -1 79 462.909 7
Mid Mid (pH 6-8) 3.52 11.21 -20.02 0 6 0 73 463.917 7
Mid Mid (pH 6-8) 4.55 10.19 -29.53 1 6 0 76 463.917 6

Activity (Go SEA)

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