UCSF

ZINC14017912

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 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) 1.48 5.14 -48.01 1 8 0 106 345.355 7
Hi High (pH 8-9.5) 1.48 2.78 -50.91 0 8 -1 105 344.347 7

Activity (Go SEA)

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