UCSF

ZINC39916986

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.59 13.21 -38.32 1 4 1 31 364.513 8
Mid Mid (pH 6-8) 4.59 10.8 -10.93 0 4 0 30 363.505 8
Mid Mid (pH 6-8) 4.59 11.52 -26.86 1 4 1 32 364.513 8

Activity (Go SEA)

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