UCSF

ZINC13989980

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 28 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) 2.87 9.38 -52.6 1 4 1 30 394.461 9
Hi High (pH 8-9.5) 2.87 7.16 -7.93 0 4 0 29 393.453 9

Activity (Go SEA)

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