UCSF

ZINC33822000

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 27 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) -1.79 1.93 -25.77 4 10 0 141 376.417 6
Mid Mid (pH 6-8) -1.79 2.44 -49.18 5 10 1 143 377.425 6

Activity (Go SEA)

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