UCSF

ZINC37859629

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 18 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) 2.10 8.69 -43.91 1 3 0 45 261.243 6
Mid Mid (pH 6-8) 2.10 7.36 -47.25 0 3 -1 43 260.235 6

Activity (Go SEA)

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