UCSF

ZINC25071625

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 21 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) 2.18 7.47 -43.26 2 4 1 46 312.365 5
Mid Mid (pH 6-8) 2.37 6.41 -28.19 1 4 0 53 311.357 5

Activity (Go SEA)

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