UCSF

ZINC37851678

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 1.12 3.99 -109.58 4 5 2 60 284.4 10
Mid Mid (pH 6-8) 1.12 1.51 -47.9 3 5 1 59 283.392 10

Activity (Go SEA)

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