UCSF

ZINC37260277

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 17 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) 2.30 4.72 -54.35 4 3 1 57 235.351 5
Hi High (pH 8-9.5) 2.30 4.32 -7.82 3 3 0 55 234.343 5

Activity (Go SEA)

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