UCSF

ZINC20358291

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 34 No

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) 4.00 8.98 -131.4 0 8 -2 119 457.438 7
Lo Low (pH 4.5-6) 4.00 8.15 -64.9 1 8 -1 116 458.446 7

Activity (Go SEA)

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