UCSF

ZINC34979557

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 No

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) 0.57 6.27 -46.69 4 6 1 103 286.311 4
Mid Mid (pH 6-8) 0.57 5.95 -7.5 3 6 0 101 285.303 4

Activity (Go SEA)

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