UCSF

ZINC35500581

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 18 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) 2.20 1.09 -71.93 2 5 0 79 244.25 3
Hi High (pH 8-9.5) 1.75 2.46 -8.71 2 5 0 71 244.25 3
Hi High (pH 8-9.5) 2.20 -0.17 -47.83 1 5 -1 74 243.242 3
Mid Mid (pH 6-8) 1.75 3.72 -51.94 3 5 1 76 245.258 3

Activity (Go SEA)

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