UCSF

ZINC02788736

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 35 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) 4.38 7.53 -15.24 2 7 0 103 484.388 4
Lo Low (pH 4.5-6) 4.38 7.98 -65.49 3 7 1 104 485.396 4

Activity (Go SEA)

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