UCSF

ZINC32226679

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 22 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) 1.25 5.99 -124.15 4 5 2 62 313.486 6
Mid Mid (pH 6-8) 1.25 4.92 -40.36 3 5 1 57 312.478 6

Activity (Go SEA)

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