UCSF

ZINC14535404

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 37 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) 3.88 11.8 -17.95 2 9 0 106 505.619 9
Lo Low (pH 4.5-6) 3.88 12.06 -42.97 3 9 1 107 506.627 9

Activity (Go SEA)

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