UCSF

ZINC25997078

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 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) 3.14 5.87 -9.17 1 3 0 42 306.715 3
Mid Mid (pH 6-8) 3.21 3.85 -6.8 1 3 0 45 306.715 3

Activity (Go SEA)

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