UCSF

ZINC37372589

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 1.99 4.99 -41.65 3 4 1 55 266.361 9
Hi High (pH 8-9.5) 1.99 3.66 -8.37 2 4 0 51 265.353 9

Activity (Go SEA)

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