UCSF

ZINC37413496

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 2.68 7.2 -40.1 2 5 1 61 294.371 7
Mid Mid (pH 6-8) 2.68 7.39 -7.69 1 5 0 57 293.363 7

Activity (Go SEA)

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