UCSF

ZINC02791846

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) 2.61 8.02 -15.65 2 9 0 113 468.517 5
Lo Low (pH 4.5-6) 2.61 8.35 -62.2 3 9 1 115 469.525 5

Activity (Go SEA)

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