UCSF

ZINC37849148

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) 2.97 5.95 -40.91 3 3 1 46 284.395 9
Hi High (pH 8-9.5) 2.97 4.55 -6.48 2 3 0 41 283.387 9

Activity (Go SEA)

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