UCSF

ZINC69513892

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) 1.26 3.37 -93.88 5 4 2 61 272.433 6
Hi High (pH 8-9.5) 1.26 1.97 -34.04 4 4 1 57 271.425 6

Activity (Go SEA)

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