UCSF

ZINC26482713

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 18 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) 3.53 7.38 -54.25 1 3 -1 52 240.282 4
Lo Low (pH 4.5-6) 3.53 6.26 -9.26 2 3 0 49 241.29 4

Activity (Go SEA)

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