UCSF

ZINC08995810

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 19 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) 3.62 7.45 -17.59 1 4 0 55 316.213 4
Mid Mid (pH 6-8) 3.69 6.54 -41.37 0 4 -1 61 315.205 4

Activity (Go SEA)

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