UCSF

ZINC32068166

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 22 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) 1.51 3.23 -51.42 3 5 1 60 306.43 6
Hi High (pH 8-9.5) 1.51 1.97 -11.98 2 5 0 56 305.422 6
Mid Mid (pH 6-8) 1.51 5.42 -106.91 4 5 2 62 307.438 6

Activity (Go SEA)

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