UCSF

ZINC20271130

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 1.80 8.62 -84.01 3 6 2 54 361.534 6
Mid Mid (pH 6-8) 1.80 6.32 -40.61 2 6 1 53 360.526 6

Activity (Go SEA)

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