UCSF

ZINC58005018

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2011 25 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) 2.80 8.61 -51.85 2 5 1 59 335.431 4
Hi High (pH 8-9.5) 2.80 6.13 -13.32 1 5 0 58 334.423 4

Activity (Go SEA)

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