UCSF

ZINC31820054

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 29 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) 1.07 4.9 -21.44 3 8 0 112 392.415 6
Ref Reference (pH 7) 0.88 7.55 -20.85 3 8 0 108 392.415 6
Lo Low (pH 4.5-6) 0.88 8.02 -54.45 4 8 1 110 393.423 6

Activity (Go SEA)

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