UCSF

ZINC09829692

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2007 30 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) 4.22 10.12 -17.86 0 6 0 65 484.375 6
Lo Low (pH 4.5-6) 4.22 10.4 -56.17 1 6 1 66 485.383 6

Activity (Go SEA)

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