UCSF

ZINC14744126

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2008 34 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) 3.71 7.67 -19.77 3 9 0 119 462.506 10
Lo Low (pH 4.5-6) 3.71 7.95 -43.22 4 9 1 120 463.514 10

Activity (Go SEA)

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