UCSF

ZINC21787518

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 30 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) 3.63 10.94 -18.28 0 6 0 57 407.514 8
Mid Mid (pH 6-8) 3.63 11.46 -34.23 1 6 1 58 408.522 8

Activity (Go SEA)

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