UCSF

ZINC28245216

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 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) 5.15 12.03 -86.97 3 3 2 31 335.495 7
Hi High (pH 8-9.5) 5.15 9.82 -24.8 2 3 1 29 334.487 7

Activity (Go SEA)

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