UCSF

ZINC25978017

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 22 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) 5.93 10.79 -7.16 1 2 0 29 372.082 2
Lo Low (pH 4.5-6) 5.93 11.17 -38.53 2 2 1 30 373.09 2

Activity (Go SEA)

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