UCSF

ZINC38836434

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 29 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) 4.75 11.46 -48.94 2 4 1 44 390.503 7
Mid Mid (pH 6-8) 4.75 10.19 -9.09 1 4 0 40 389.495 7

Activity (Go SEA)

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