UCSF

ZINC38198128

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2010 27 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) 4.14 11.19 -53.04 0 5 -1 71 360.389 4
Mid Mid (pH 6-8) 4.14 11.31 -37.77 1 5 0 73 361.397 4

Activity (Go SEA)

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