UCSF

ZINC21785195

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 25 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) 2.04 7.19 -16.19 0 6 0 51 344.459 7
Mid Mid (pH 6-8) 2.04 7.58 -32.93 1 6 1 52 345.467 7

Activity (Go SEA)

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