UCSF

ZINC33813750

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 36 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) 4.90 13.24 -69.18 1 6 0 78 507.631 10
Lo Low (pH 4.5-6) 4.90 12.79 -46.45 2 6 1 75 508.639 10

Activity (Go SEA)

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