UCSF

ZINC39251714

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 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) 2.06 4.37 -11.68 1 5 0 73 238.239 4
Hi High (pH 8-9.5) 2.06 5.14 -53.12 0 5 -1 76 237.231 4

Activity (Go SEA)

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