UCSF

ZINC34964782

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 1.58 9.32 -39.25 1 4 1 42 287.383 4
Mid Mid (pH 6-8) 1.58 7.05 -10.79 0 4 0 41 286.375 4

Activity (Go SEA)

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