UCSF

ZINC44618422

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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 0.99 -50.52 1 7 -1 110 293.346 5
Mid Mid (pH 6-8) -0.75 -0.33 -107.43 0 7 -2 113 292.338 5

Activity (Go SEA)

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