UCSF

ZINC20577453

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 13 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) -2.37 1.8 -43.65 3 5 1 72 184.219 4
Hi High (pH 8-9.5) -2.37 1.47 -7.6 2 5 0 70 183.211 4

Activity (Go SEA)

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