UCSF

ZINC32818685

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.45 12.34 -133.31 3 4 2 38 367.537 7
Mid Mid (pH 6-8) 3.45 10.42 -48.87 2 4 1 37 366.529 7
Mid Mid (pH 6-8) 3.45 7.96 -11.95 1 4 0 36 365.521 7
Mid Mid (pH 6-8) 3.44 9.88 -44.31 2 4 1 37 366.529 7

Activity (Go SEA)

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