UCSF

ZINC37108265

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) 0.98 2.85 -46.66 3 2 1 31 203.375 4
Lo Low (pH 4.5-6) 0.98 4.77 -123.58 4 2 2 32 204.383 4

Activity (Go SEA)

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