UCSF

ZINC58235185

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2011 13 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) 2.92 4.7 -4.78 1 2 0 21 177.247 1
Lo Low (pH 4.5-6) 2.92 5.19 -37.93 2 2 1 26 178.255 1

Activity (Go SEA)

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