UCSF

ZINC53156563

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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 7.57 -9.64 1 3 0 32 312.816 4
Lo Low (pH 4.5-6) 3.36 8.81 -50.95 2 3 1 37 313.824 4

Activity (Go SEA)

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