UCSF

ZINC35420383

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 36 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) 2.59 9.87 -75.24 2 9 0 112 492.576 10
Lo Low (pH 4.5-6) 2.59 9.11 -53.96 3 9 1 109 493.584 10

Activity (Go SEA)

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