UCSF

ZINC36386503

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2009 32 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) 4.21 12.52 -47.62 1 6 1 68 453.946 5
Hi High (pH 8-9.5) 4.21 10.1 -12.32 0 6 0 67 452.938 5

Activity (Go SEA)

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