UCSF

ZINC02566313

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 23 No

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) 3.55 3.95 -9.41 3 6 0 91 396.628 4
Hi High (pH 8-9.5) 3.55 4.73 -47.02 2 6 -1 94 395.62 4

Activity (Go SEA)

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