UCSF

ZINC53136964

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 20 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) 2.54 8.12 -31.56 2 4 1 52 269.372 4
Mid Mid (pH 6-8) 2.54 7.64 -7.51 1 4 0 51 268.364 4
Lo Low (pH 4.5-6) 2.54 8.58 -80.65 3 4 2 53 270.38 4

Activity (Go SEA)

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