UCSF

ZINC32114242

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 1.56 5.83 -96.06 3 4 2 34 267.417 9
Hi High (pH 8-9.5) 1.56 4.43 -34.24 2 4 1 29 266.409 9
Hi High (pH 8-9.5) 1.57 3.49 -35.64 2 4 1 32 266.409 9
Mid Mid (pH 6-8) 1.57 7.15 -86.12 3 4 2 30 267.417 9

Activity (Go SEA)

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