UCSF

ZINC37462408

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 18 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) -1.21 0.04 -44.59 2 7 -1 119 293.346 5
Mid Mid (pH 6-8) -0.75 -2.34 -107.34 1 7 -2 122 292.338 5

Activity (Go SEA)

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