UCSF

ZINC31655309

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2009 20 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) 2.43 7.95 -45.04 2 5 1 60 277.344 7
Hi High (pH 8-9.5) 2.43 5.64 -12.52 1 5 0 59 276.336 7

Activity (Go SEA)

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