UCSF

ZINC32227903

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.80 8.01 -42.12 3 4 1 57 313.421 6
Mid Mid (pH 6-8) 2.80 7.62 -9.48 2 4 0 56 312.413 6

Activity (Go SEA)

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