UCSF

ZINC32232260

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) 2.03 7.06 -43.85 3 5 1 66 315.393 6
Mid Mid (pH 6-8) 2.03 6.69 -8.55 2 5 0 65 314.385 6

Activity (Go SEA)

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