UCSF

ZINC35828456

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 30 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) 4.48 11.59 -17.36 1 5 0 56 403.457 7
Lo Low (pH 4.5-6) 4.48 12.25 -37 2 5 1 57 404.465 7

Activity (Go SEA)

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