UCSF

ZINC37228654

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 0.60 4.57 -52.64 2 4 1 51 295.428 4
Hi High (pH 8-9.5) 0.60 2.2 -11.56 1 4 0 49 294.42 4

Activity (Go SEA)

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