UCSF

ZINC36358324

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 26 Yes

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) 3.43 8.68 -11.24 1 5 0 74 366.783 2
Ref Reference (pH 7) 3.24 11.34 -12.31 1 5 0 71 366.783 2
Mid Mid (pH 6-8) 3.24 11.8 -54.77 2 5 1 72 367.791 2

Activity (Go SEA)

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