UCSF

ZINC16481140

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2008 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) 2.10 5.11 -53.49 1 6 -1 88 294.327 7
Lo Low (pH 4.5-6) 2.10 3.13 -16.66 2 6 0 85 295.335 7

Activity (Go SEA)

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