UCSF

ZINC22776821

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 5.12 9.81 -44.61 2 3 1 35 420.154 6
Mid Mid (pH 6-8) 5.12 8.53 -5.26 1 3 0 30 419.146 6

Activity (Go SEA)

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