UCSF

ZINC42777352

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 2.00 7.18 -43.06 2 4 1 38 279.33 7
Hi High (pH 8-9.5) 2.00 6.29 -5.08 1 4 0 33 278.322 7

Activity (Go SEA)

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