UCSF

ZINC31554144

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 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) 1.76 6.07 -34.23 3 7 1 78 314.369 3
Mid Mid (pH 6-8) 1.76 5.74 -10.15 2 7 0 77 313.361 3
Mid Mid (pH 6-8) 1.76 8.3 -100.22 4 7 2 79 315.377 3
Mid Mid (pH 6-8) 1.76 7.95 -46.82 3 7 1 78 314.369 3

Activity (Go SEA)

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