UCSF

ZINC36460717

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2009 19 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) 1.28 6.82 -47.4 0 5 -1 70 260.269 5
Lo Low (pH 4.5-6) 0.70 7.3 -14.49 0 5 0 64 261.277 5

Activity (Go SEA)

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