UCSF

ZINC36624820

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 3.64 9.64 -130.35 6 4 2 69 401.554 8
Mid Mid (pH 6-8) 3.64 9.27 -47.18 5 4 1 68 400.546 8

Activity (Go SEA)

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