UCSF

ZINC37073808

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 1.09 3.62 -36.26 2 4 1 46 215.317 5
Mid Mid (pH 6-8) 1.09 2.64 -5.64 1 4 0 42 214.309 5
Mid Mid (pH 6-8) 1.09 4.88 -37.33 2 4 1 43 215.317 5
Lo Low (pH 4.5-6) 1.09 5.86 -101.65 3 4 2 47 216.325 5

Activity (Go SEA)

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