UCSF

ZINC33812528

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 34 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) 2.51 12.9 -19.49 0 7 0 74 493.658 5
Mid Mid (pH 6-8) 2.51 13.49 -78.52 1 7 1 75 494.666 5

Activity (Go SEA)

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