UCSF

ZINC37989031

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 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) 1.42 7.99 -55.58 2 4 1 47 300.155 4
Mid Mid (pH 6-8) 1.42 6.63 -15.37 1 4 0 43 299.147 4

Activity (Go SEA)

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