UCSF

ZINC23660401

Substance Information

In ZINC since Heavy atoms Benign functionality
January 6th, 2009 32 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) 4.20 12.44 -30.05 1 6 0 75 450.608 5
Hi High (pH 8-9.5) 4.39 11.38 -63.89 0 6 -1 82 449.6 5

Activity (Go SEA)

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