UCSF

ZINC37811351

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) 1.32 5.18 -48.51 3 5 1 64 342.261 3
Hi High (pH 8-9.5) 1.32 4.82 -10.19 2 5 0 62 341.253 3

Activity (Go SEA)

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