UCSF

ZINC37818846

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 3.34 5.97 -47.17 3 3 1 48 253.41 3
Mid Mid (pH 6-8) 3.34 5.69 -5.62 2 3 0 46 252.402 3

Activity (Go SEA)

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