UCSF

ZINC58364868

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 21 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) 3.36 4.14 -100.98 0 6 -2 101 345.163 4
Lo Low (pH 4.5-6) 3.36 4.09 -48.82 1 6 -1 99 346.171 4

Activity (Go SEA)

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