UCSF

ZINC35646577

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 21 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 2.4 -13.69 3 5 0 79 287.315 4
Hi High (pH 8-9.5) 2.89 3.41 -56.56 2 5 -1 82 286.307 4

Activity (Go SEA)

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