UCSF

ZINC37804057

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 3.16 5.91 -54.35 3 3 1 48 285.358 5
Hi High (pH 8-9.5) 3.16 6.21 -9.78 2 3 0 46 284.35 5

Activity (Go SEA)

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