UCSF

ZINC34477584

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 22 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) -0.07 7.65 -336.35 0 8 -4 161 312.274 8
Lo Low (pH 4.5-6) -0.07 5.65 -213.5 1 8 -3 158 313.282 8

Activity (Go SEA)

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