UCSF

ZINC37796857

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 19 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) 1.16 6.53 -55.31 1 6 -1 96 270.305 7
Lo Low (pH 4.5-6) 1.16 4.54 -12.37 2 6 0 93 271.313 7

Activity (Go SEA)

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