UCSF

ZINC37040347

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 2.47 8.86 -10.59 1 4 0 43 286.285 4
Lo Low (pH 4.5-6) 2.47 9.42 -31.93 2 4 1 44 287.293 4

Activity (Go SEA)

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