UCSF

ZINC36769361

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 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) 0.33 0.58 -48.12 3 4 1 49 229.344 4
Lo Low (pH 4.5-6) 0.33 2.06 -131.89 4 4 2 51 230.352 4

Activity (Go SEA)

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