UCSF

ZINC70631229

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2011 15 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) 2.07 5.93 -40.65 2 3 1 34 210.345 5
Hi High (pH 8-9.5) 2.07 4.49 -5.31 1 3 0 30 209.337 5

Activity (Go SEA)

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