UCSF

ZINC53780790

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2010 15 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) 2.05 7.48 -9.27 0 2 0 30 203.285 4
Lo Low (pH 4.5-6) 2.05 7.94 -34.18 1 2 1 31 204.293 4

Activity (Go SEA)

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