UCSF

ZINC37340093

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 19 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) 2.19 5.97 -9.38 0 3 0 30 265.328 5
Mid Mid (pH 6-8) 2.19 8.04 -43.58 1 3 1 31 266.336 5

Activity (Go SEA)

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