UCSF

ZINC39750289

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 23 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.24 3.3 -49.71 0 7 -1 85 330.393 4
Mid Mid (pH 6-8) 1.24 5.57 -46.9 1 7 0 86 331.401 4
Mid Mid (pH 6-8) 1.42 4.02 -21.04 1 7 0 78 331.401 4
Lo Low (pH 4.5-6) 1.42 6.17 -57.38 2 7 1 80 332.409 4

Activity (Go SEA)

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