UCSF

ZINC23331437

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 33 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) 3.73 8.46 -16.5 0 7 0 72 452.53 7
Mid Mid (pH 6-8) 3.73 10.67 -58.67 1 7 1 73 453.538 7

Activity (Go SEA)

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