UCSF

ZINC09046420

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 35 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) 4.24 8.87 -41.86 0 7 -1 82 518.417 8
Mid Mid (pH 6-8) 3.66 -0.32 -51.08 1 7 1 77 520.433 8
Mid Mid (pH 6-8) 4.24 11.2 -55.88 1 7 0 83 519.425 8

Activity (Go SEA)

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