UCSF

ZINC35282271

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 16 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) 1.28 7.14 -59.92 0 4 -1 60 226.296 5
Lo Low (pH 4.5-6) 1.28 4.76 -6.34 1 4 0 58 227.304 5

Activity (Go SEA)

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