UCSF

ZINC37089811

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 3.36 8.8 -52.21 2 3 1 50 285.342 5
Mid Mid (pH 6-8) 3.36 7.64 -7.12 1 3 0 45 284.334 5

Activity (Go SEA)

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