UCSF

ZINC19720787

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 21 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) 2.00 3.44 -19.99 1 6 0 67 304.375 4
Hi High (pH 8-9.5) 1.81 2.37 -45.41 0 6 -1 74 303.367 4

Activity (Go SEA)

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