UCSF

ZINC09088769

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 27 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) 3.14 7.12 -60.23 1 5 -1 81 384.839 6
Mid Mid (pH 6-8) 2.56 7.41 -11.9 1 5 0 75 385.847 6
Mid Mid (pH 6-8) 3.59 7.42 -13.08 2 5 0 78 385.847 5

Activity (Go SEA)

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