UCSF

ZINC34947701

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 26 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) 2.02 8.55 -45.31 1 7 -1 99 367.466 9
Mid Mid (pH 6-8) 2.02 9.47 -31.2 2 7 0 103 368.474 9

Activity (Go SEA)

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