UCSF

ZINC01514334

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2004 24 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) 4.14 8.41 -14.54 1 5 0 60 340.404 5
Hi High (pH 8-9.5) 3.67 7.49 -48.79 0 5 -1 67 339.396 5

Activity (Go SEA)

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