UCSF

ZINC36062980

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 28 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) 3.70 8.91 -8.61 0 5 0 42 423.34 6
Mid Mid (pH 6-8) 3.70 11.13 -52.88 1 5 1 43 424.348 6

Activity (Go SEA)

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