UCSF

ZINC58225864

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2011 23 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) 2.22 7.18 -46.92 2 5 1 52 313.377 5
Hi High (pH 8-9.5) 2.22 4.7 -9.73 1 5 0 51 312.369 5

Activity (Go SEA)

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