UCSF

ZINC37803888

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 No

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) 1.27 7.73 -46.99 2 5 1 63 289.421 7
Hi High (pH 8-9.5) 1.27 6.69 -12.21 1 5 0 59 288.413 7

Activity (Go SEA)

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