UCSF

ZINC37871294

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 9 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) 0.76 3.98 -41.9 2 2 1 40 127.211 4
Hi High (pH 8-9.5) 0.76 2.78 -5.48 1 2 0 36 126.203 4

Activity (Go SEA)

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