UCSF

ZINC32026842

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) -2.31 -2.83 -90.74 1 7 -2 118 209.161 3
Lo Low (pH 4.5-6) -2.76 -2.06 -45.9 2 7 -1 115 210.169 3

Activity (Go SEA)

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