UCSF

ZINC31134868

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 18 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) 1.95 2.25 -16.2 2 5 0 75 270.354 5
Hi High (pH 8-9.5) 1.95 2.32 -51.06 1 5 -1 77 269.346 5

Activity (Go SEA)

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