UCSF

ZINC32087411

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 24 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) 3.74 7.7 -55.26 3 3 1 40 327.492 9
Mid Mid (pH 6-8) 3.74 9.53 -134.15 4 3 2 41 328.5 9

Activity (Go SEA)

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