UCSF

ZINC37991366

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.31 6.76 -50.97 2 3 1 39 407.151 5
Mid Mid (pH 6-8) 3.31 5.4 -6.42 1 3 0 34 406.143 5

Activity (Go SEA)

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