UCSF

ZINC37792579

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 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) 2.09 9.6 -69.86 2 5 0 74 298.427 8
Mid Mid (pH 6-8) 2.09 6.57 -50.55 3 5 1 71 299.435 8

Activity (Go SEA)

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