UCSF

ZINC09014814

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 28 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) 4.04 9.45 -56.27 0 5 -1 70 382.411 7
Mid Mid (pH 6-8) 4.48 9.44 -18.49 1 5 0 67 383.419 6

Activity (Go SEA)

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