UCSF

ZINC37019841

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 2.28 4.92 -55.14 4 5 1 73 289.403 3
Hi High (pH 8-9.5) 2.28 4.66 -8.11 3 5 0 71 288.395 3
Mid Mid (pH 6-8) 2.28 5.38 -100.25 5 5 2 74 290.411 3

Activity (Go SEA)

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