UCSF

ZINC36065975

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 25 No

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) 4.13 9.76 -39.42 2 4 1 55 338.427 5
Mid Mid (pH 6-8) 4.13 10.35 -27.63 1 4 0 58 337.419 5

Activity (Go SEA)

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