UCSF

ZINC34698949

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 32 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) 5.46 12.94 -10.29 0 4 0 37 430.592 8
Lo Low (pH 4.5-6) 5.46 15.46 -49.06 1 4 1 38 431.6 8

Activity (Go SEA)

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