UCSF

ZINC37045377

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -1.03 0.41 -54.86 4 6 1 88 240.283 5
Hi High (pH 8-9.5) -1.03 0.08 -14.51 3 6 0 86 239.275 5

Activity (Go SEA)

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