UCSF

ZINC31962914

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 1.96 5.52 -50.2 4 5 1 73 303.43 3
Hi High (pH 8-9.5) 1.96 5.11 -10.33 3 5 0 71 302.422 3
Mid Mid (pH 6-8) 1.96 4.1 -34.11 4 5 1 72 303.43 3
Mid Mid (pH 6-8) 1.96 5.91 -92.81 5 5 2 74 304.438 3

Activity (Go SEA)

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