UCSF

ZINC20993203

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 26 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) 1.98 6.16 -15.01 0 6 0 58 368.462 2
Mid Mid (pH 6-8) 1.98 8.54 -53.32 1 6 1 60 369.47 2

Activity (Go SEA)

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