UCSF

ZINC37840438

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 1.89 2.71 -15.7 1 5 0 70 312.313 6
Hi High (pH 8-9.5) 2.35 0.59 -44.81 0 5 -1 73 311.305 6

Activity (Go SEA)

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