UCSF

ZINC44648920

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 19 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) 1.10 0.06 -50.52 5 6 1 106 306.795 6
Hi High (pH 8-9.5) 1.10 -1.29 -14.76 4 6 0 101 305.787 6

Activity (Go SEA)

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