UCSF

ZINC36197493

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 17 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) 0.76 3.93 -33.69 3 4 1 49 239.339 8
Hi High (pH 8-9.5) 0.76 2.62 -3.79 2 4 0 48 238.331 8

Activity (Go SEA)

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