UCSF

ZINC58626020

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2011 15 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) 1.19 7.37 -13.86 0 3 0 42 207.183 2
Lo Low (pH 4.5-6) 1.19 7.84 -52.19 1 3 1 43 208.191 2

Activity (Go SEA)

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