UCSF

ZINC34525448

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 4.16 9.05 -41.82 3 4 1 51 339.459 8
Hi High (pH 8-9.5) 4.16 7.79 -10.2 2 4 0 46 338.451 8

Activity (Go SEA)

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