UCSF

ZINC37834918

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 0.16 3.98 -53.53 0 7 -1 98 303.36 5
Lo Low (pH 4.5-6) 0.16 1.99 -16.5 1 7 0 95 304.368 5

Activity (Go SEA)

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