UCSF

ZINC37596453

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2009 21 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) 0.80 8.24 -57.95 1 6 0 82 298.383 8
Hi High (pH 8-9.5) 0.80 6.18 -47.45 0 6 -1 81 297.375 8

Activity (Go SEA)

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