UCSF

ZINC21799983

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 26 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) 3.21 8.15 -19.42 1 5 0 50 348.45 3
Mid Mid (pH 6-8) 3.21 10.38 -53.93 2 5 1 51 349.458 3
Mid Mid (pH 6-8) 3.21 8.56 -30.46 2 5 1 51 349.458 3
Lo Low (pH 4.5-6) 3.21 10.79 -105.22 3 5 2 53 350.466 3

Activity (Go SEA)

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