UCSF

ZINC39917782

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.00 15.51 -42.59 1 4 1 31 406.594 8
Mid Mid (pH 6-8) 6.00 15.82 -95.87 2 4 2 33 407.602 8

Activity (Go SEA)

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