UCSF

ZINC14229835

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 23 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) 4.86 8.23 -50.21 0 4 -1 61 345.469 3
Mid Mid (pH 6-8) 5.79 8.5 -13.55 1 4 0 62 346.477 2

Activity (Go SEA)

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