UCSF

ZINC28459508

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 26 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) 4.90 8.23 -26.45 2 4 0 62 343.382 3
Hi High (pH 8-9.5) 4.90 9.24 -74.59 1 4 -1 65 342.374 3

Activity (Go SEA)

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