UCSF

ZINC37811706

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) -3.03 -1.08 -54.16 4 8 1 107 275.329 8
Hi High (pH 8-9.5) -3.03 -1.68 -17.06 3 8 0 105 274.321 8

Activity (Go SEA)

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