UCSF

ZINC37032958

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) 0.08 1.74 -48.12 4 6 1 82 265.337 4
Hi High (pH 8-9.5) 0.08 1.41 -9.81 3 6 0 80 264.329 4
Mid Mid (pH 6-8) 0.08 2.09 -93.03 5 6 2 83 266.345 4

Activity (Go SEA)

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