UCSF

ZINC23330471

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 30 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) 2.62 2.83 -20.62 3 8 0 121 443.506 6
Mid Mid (pH 6-8) 2.62 2.9 -45.38 2 8 -1 124 442.498 6

Activity (Go SEA)

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