UCSF

ZINC20529201

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 27 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) 1.55 4.93 -43.34 3 8 1 84 375.449 6
Mid Mid (pH 6-8) 1.55 2.46 -11.32 2 8 0 83 374.441 6
Mid Mid (pH 6-8) 1.55 4.98 -45.81 3 8 1 84 375.449 6

Activity (Go SEA)

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