UCSF

ZINC44722750

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 17 Yes

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) 0.98 5.74 -38.62 2 4 1 34 255.773 4
Hi High (pH 8-9.5) 0.98 3.41 -5.76 1 4 0 33 254.765 4
Lo Low (pH 4.5-6) 0.98 6.21 -82.35 3 4 2 36 256.781 4

Activity (Go SEA)

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