UCSF

ZINC34984508

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 23 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) 2.02 -2.58 -13.04 4 8 0 119 315.333 6
Mid Mid (pH 6-8) 2.02 -1.76 -46.92 3 8 -1 122 314.325 6

Activity (Go SEA)

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