UCSF

ZINC34667634

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 30 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) 3.08 8.24 -15.3 1 7 0 75 422.51 5
Mid Mid (pH 6-8) 3.08 8.59 -46.44 2 7 1 76 423.518 5

Activity (Go SEA)

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