UCSF

ZINC34279057

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2009 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) -4.16 -4.83 -62.21 5 7 0 126 218.209 4
Hi High (pH 8-9.5) -4.16 -6.07 -59.75 4 7 -1 122 217.201 4

Activity (Go SEA)

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