UCSF

ZINC36961454

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 3.25 8.28 -9.54 1 3 0 38 273.336 4
Lo Low (pH 4.5-6) 3.25 8.74 -32.32 2 3 1 39 274.344 4

Activity (Go SEA)

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