UCSF

ZINC08740349

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 19 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) 1.27 6.28 -17.65 1 4 0 59 259.305 4
Lo Low (pH 4.5-6) 2.57 4.44 -28.64 2 4 1 61 260.313 4

Activity (Go SEA)

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