UCSF

ZINC14849661

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2008 28 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) 3.92 5.13 -14.46 3 7 0 97 397.456 6
Hi High (pH 8-9.5) 3.92 5.17 -43.02 2 7 -1 99 396.448 6

Activity (Go SEA)

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