UCSF

ZINC36873668

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 13 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) 0.82 1.47 -40.9 3 3 1 40 187.307 4
Lo Low (pH 4.5-6) 0.82 3.32 -118.86 4 3 2 41 188.315 4

Activity (Go SEA)

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