UCSF

ZINC15756895

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 31 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) 2.89 5.8 -18.94 3 7 0 104 437.521 7
Hi High (pH 8-9.5) 2.89 5.83 -55.52 2 7 -1 106 436.513 7

Activity (Go SEA)

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