UCSF

ZINC37815172

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) 1.24 4.43 -47.87 3 5 1 68 282.408 4
Hi High (pH 8-9.5) 1.24 4.18 -11.98 2 5 0 67 281.4 4

Activity (Go SEA)

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