UCSF

ZINC36996803

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 3.07 3.63 -34.09 3 4 1 49 291.415 4
Lo Low (pH 4.5-6) 3.07 5.9 -106.48 4 4 2 51 292.423 4

Activity (Go SEA)

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