UCSF

ZINC21535068

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2008 24 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) 1.48 5.44 -57.26 2 6 1 74 354.496 5
Mid Mid (pH 6-8) 1.48 4.07 -11.5 1 6 0 70 353.488 5

Activity (Go SEA)

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