UCSF

ZINC21518009

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 16 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) 4.79 7.08 -2.86 1 2 0 25 283.213 2
Lo Low (pH 4.5-6) 4.79 7.53 -31.58 2 2 1 26 284.221 2

Activity (Go SEA)

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