UCSF

ZINC24197528

Substance Information

In ZINC since Heavy atoms Benign functionality
January 14th, 2009 26 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) 1.73 8.96 -41.97 1 8 1 93 370.414 4
Mid Mid (pH 6-8) 1.73 8.5 -14.85 0 8 0 91 369.406 4

Activity (Go SEA)

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