UCSF

ZINC37821821

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 2.02 2.89 -41.18 5 5 1 91 331.223 4
Hi High (pH 8-9.5) 2.02 2.55 -12 4 5 0 89 330.215 4

Activity (Go SEA)

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