UCSF

ZINC21773820

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 26 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) 4.59 10.68 -18.56 1 4 0 51 366.848 7
Lo Low (pH 4.5-6) 4.59 11.06 -42.91 2 4 1 52 367.856 7

Activity (Go SEA)

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