UCSF

ZINC53147408

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 17 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) 1.28 6.19 -53.69 3 2 1 41 268.167 3
Mid Mid (pH 6-8) 1.28 5.87 -5.71 2 2 0 39 267.159 3
Lo Low (pH 4.5-6) 1.28 6.66 -122.67 4 2 2 42 269.175 3

Activity (Go SEA)

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