UCSF

ZINC32128305

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 1.18 1.79 -51.16 3 4 1 49 283.367 6
Hi High (pH 8-9.5) 1.18 0.64 -5.74 2 4 0 45 282.359 6
Lo Low (pH 4.5-6) 1.18 3.04 -41.18 3 4 1 46 283.367 6

Activity (Go SEA)

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