UCSF

ZINC69562074

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 19 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) 2.60 5.57 -36.23 2 3 1 28 283.823 5
Hi High (pH 8-9.5) 2.60 3.3 -4.04 1 3 0 27 282.815 5

Activity (Go SEA)

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