UCSF

ZINC02790263

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 36 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) 3.32 8.71 -12.17 2 7 0 95 498.415 3
Lo Low (pH 4.5-6) 3.32 9.03 -60.19 3 7 1 96 499.423 3

Activity (Go SEA)

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