UCSF

ZINC08743777

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 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) 4.01 12.44 -76.6 1 6 0 74 454.542 9
Mid Mid (pH 6-8) 4.46 12.56 -50.41 2 6 1 71 455.55 8

Activity (Go SEA)

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