UCSF

ZINC31898249

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 34 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) 2.96 12.44 -57.23 2 9 1 108 506.674 10
Mid Mid (pH 6-8) 2.96 10.29 -19.79 1 9 0 106 505.666 10

Activity (Go SEA)

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