UCSF

ZINC44264754

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 19 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) 3.49 8.06 -18.31 1 3 0 42 263.222 2
Mid Mid (pH 6-8) 3.49 7.53 -25.66 2 3 1 43 264.23 2

Activity (Go SEA)

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