UCSF

ZINC43544010

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2010 19 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) 5.35 5.02 -9.67 3 4 0 72 292.489 14
Hi High (pH 8-9.5) 5.35 4.67 -38.14 2 4 -1 74 291.481 14

Activity (Go SEA)

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