UCSF

ZINC37002592

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 0.49 5.59 -50.74 4 5 1 75 259.333 5
Hi High (pH 8-9.5) 0.49 5.29 -12.17 3 5 0 73 258.325 5
Mid Mid (pH 6-8) 0.49 6.1 -91.88 5 5 2 76 260.341 5

Activity (Go SEA)

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