UCSF

ZINC34468225

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 26 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) 2.85 7.45 -15.47 1 5 0 63 386.908 4
Mid Mid (pH 6-8) 2.85 8.32 -34.19 2 5 1 65 387.916 4

Activity (Go SEA)

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