UCSF

ZINC37819527

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 2.19 4.56 -53.16 4 4 1 64 262.377 2
Mid Mid (pH 6-8) 2.19 4.45 -8.96 3 4 0 62 261.369 2

Activity (Go SEA)

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