UCSF

ZINC36627936

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 34 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) 5.18 13.64 -9.11 1 4 0 56 463.606 6
Lo Low (pH 4.5-6) 5.18 15.92 -47.78 2 4 1 57 464.614 6

Activity (Go SEA)

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