UCSF

ZINC00244748

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 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) 4.45 9.58 -8.55 0 4 0 48 297.354 7
Lo Low (pH 4.5-6) 4.45 9.22 -43.58 1 4 1 50 298.362 7
Lo Low (pH 4.5-6) 4.45 9.92 -40.93 1 4 1 50 298.362 7

Activity (Go SEA)

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