UCSF

ZINC45691364

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 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) 4.45 8.53 -38.72 2 2 1 20 304.285 7
Mid Mid (pH 6-8) 4.45 10.26 -36.22 2 2 1 16 304.285 7

Activity (Go SEA)

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