UCSF

ZINC32128401

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 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) 2.79 9.03 -48.35 3 3 1 48 283.395 4
Mid Mid (pH 6-8) 2.79 8.65 -9.9 2 3 0 46 282.387 4

Activity (Go SEA)

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