UCSF

ZINC31960199

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 23 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) 1.59 5.72 -51.14 2 6 -1 94 316.312 7
Mid Mid (pH 6-8) 1.59 6.18 -71.45 3 6 0 95 317.32 7
Lo Low (pH 4.5-6) 1.59 5.06 -46.55 4 6 1 93 318.328 7

Activity (Go SEA)

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