UCSF

ZINC32052220

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 0.82 2.07 -50.89 3 5 1 60 292.403 5
Hi High (pH 8-9.5) 0.82 0.64 -11.5 2 5 0 56 291.395 5
Mid Mid (pH 6-8) 0.82 3.99 -105.01 4 5 2 62 293.411 5

Activity (Go SEA)

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