UCSF

ZINC36892054

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 15 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) 0.71 4.14 -47.32 2 4 0 60 214.309 5
Lo Low (pH 4.5-6) 0.71 6.33 -95.9 3 4 1 61 215.317 5

Activity (Go SEA)

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