UCSF

ZINC00897737

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 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) 4.84 9.04 -22.6 1 7 0 83 397.456 6
Hi High (pH 8-9.5) 5.02 6.43 -48.49 0 7 -1 89 396.448 6

Activity (Go SEA)

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