UCSF

ZINC37181219

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 27 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) 3.76 9.21 -10.89 1 4 0 45 381.476 4
Mid Mid (pH 6-8) 3.94 9.85 -33.36 1 4 0 53 381.476 4

Activity (Go SEA)

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