UCSF

ZINC62955163

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 20 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) 2.55 7.94 -39.89 2 4 1 38 279.452 5
Hi High (pH 8-9.5) 2.55 6.49 -3.86 1 4 0 33 278.444 5

Activity (Go SEA)

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