UCSF

ZINC70459726

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2011 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) 1.29 1.94 -45.22 4 3 1 51 289.321 4
Lo Low (pH 4.5-6) 1.29 4.27 -113.59 5 3 2 52 290.329 4

Activity (Go SEA)

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