UCSF

ZINC37825267

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 1.29 6.66 -123.81 4 5 2 66 295.427 7
Hi High (pH 8-9.5) 1.29 6.76 -47.67 3 5 1 64 294.419 7

Activity (Go SEA)

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