UCSF

ZINC54170988

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2010 18 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) 2.19 1.44 -5.15 0 4 0 32 300.737 4
Mid Mid (pH 6-8) 2.19 3.67 -37.33 1 4 1 33 301.745 4

Activity (Go SEA)

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