UCSF

ZINC00830917

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 30 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) 5.53 13.32 -12.99 1 6 0 88 415.474 5
Hi High (pH 8-9.5) 5.60 11.23 -38.24 0 6 -1 94 414.466 5

Activity (Go SEA)

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