UCSF

ZINC20011660

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 2.23 5.63 -42.28 3 4 1 65 305.423 5
Hi High (pH 8-9.5) 2.23 5.23 -11.83 2 4 0 63 304.415 5

Activity (Go SEA)

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