UCSF

ZINC58233982

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2011 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) 1.48 2.04 -48.81 2 4 1 54 261.392 4
Hi High (pH 8-9.5) 1.48 0.61 -8.52 1 4 0 49 260.384 4

Activity (Go SEA)

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