UCSF

ZINC38751825

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2010 34 Yes

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) 3.41 8.73 -48.43 3 7 1 81 499.06 7
Mid Mid (pH 6-8) 3.41 7.7 -52.53 3 7 1 84 499.06 7

Activity (Go SEA)

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