UCSF

ZINC33876813

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 33 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) 4.76 9.77 -19.41 1 8 0 94 488.997 10
Hi High (pH 8-9.5) 4.95 8.29 -47.8 0 8 -1 100 487.989 10

Activity (Go SEA)

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