UCSF

ZINC37028932

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 3.34 5.91 -30.27 3 4 1 50 313.208 4
Mid Mid (pH 6-8) 3.34 6.66 -37.38 2 4 0 52 312.2 4

Activity (Go SEA)

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