UCSF

ZINC33775578

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 39 No

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) 4.13 14.47 -55.59 0 7 -1 92 519.577 10
Lo Low (pH 4.5-6) 4.13 13.18 -22.67 1 7 0 89 520.585 10

Activity (Go SEA)

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