UCSF

ZINC20217848

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 19 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) -0.79 6.9 -96.93 4 4 2 52 263.385 3
Hi High (pH 8-9.5) -0.79 4.37 -40.79 3 4 1 51 262.377 3

Activity (Go SEA)

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