UCSF

ZINC37796068

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 0.14 -0.02 -58.05 3 8 -1 139 313.311 5
Lo Low (pH 4.5-6) 0.14 -2.01 -17.8 4 8 0 136 314.319 5

Activity (Go SEA)

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