UCSF

ZINC42148451

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 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) 0.25 4.35 -49.49 1 6 1 72 315.415 6
Hi High (pH 8-9.5) 0.25 2.2 -21.22 0 6 0 71 314.407 6

Activity (Go SEA)

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