UCSF

ZINC59540298

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 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) 0.44 4.19 -48.97 3 4 -1 78 207.253 4
Mid Mid (pH 6-8) 0.44 4.26 -33.01 4 4 0 83 208.261 4
Lo Low (pH 4.5-6) 0.44 4.06 -69.12 4 4 0 80 208.261 4

Activity (Go SEA)

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