UCSF

ZINC32232038

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) 1.46 4.07 -59.97 3 6 1 76 315.349 5
Mid Mid (pH 6-8) 1.46 3.68 -15.18 2 6 0 74 314.341 5

Activity (Go SEA)

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