UCSF

ZINC28863420

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 23 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) 6.13 8.07 -40.93 1 3 -1 52 371.671 3
Lo Low (pH 4.5-6) 6.13 7.41 -10.19 2 3 0 49 372.679 3

Activity (Go SEA)

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