UCSF

ZINC04736939

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 29 No

Download: MOL2 SDF SMILES Flexibase

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) 2.68 4.91 -20.16 2 7 0 86 395.459 8
Mid Mid (pH 6-8) 3.16 -3.29 -40.21 2 7 1 85 396.467 8

Activity (Go SEA)

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