UCSF

ZINC31962792

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 1.29 2.71 -53.23 4 5 1 73 263.365 3
Hi High (pH 8-9.5) 1.29 2.32 -11.65 3 5 0 71 262.357 3
Mid Mid (pH 6-8) 1.29 2.99 -98.48 5 5 2 74 264.373 3
Mid Mid (pH 6-8) 1.29 2.61 -37.51 4 5 1 72 263.365 3

Activity (Go SEA)

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