UCSF

ZINC33780237

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 33 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) 4.58 13.03 -61.8 0 5 -1 70 438.503 8
Lo Low (pH 4.5-6) 4.58 12.07 -15.29 1 5 0 67 439.511 8

Activity (Go SEA)

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