UCSF

ZINC20477992

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 16 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) 1.46 1.4 -48.01 4 4 1 66 333.149 2
Hi High (pH 8-9.5) 1.46 0.02 -11.93 3 4 0 61 332.141 2

Activity (Go SEA)

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