UCSF

ZINC32239308

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 3.34 7.18 -32.56 2 3 1 26 330.29 9
Mid Mid (pH 6-8) 3.34 6.42 -36.56 2 3 1 29 330.29 9
Mid Mid (pH 6-8) 3.34 8.58 -98.79 3 3 2 30 331.298 9

Activity (Go SEA)

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