UCSF

ZINC39318772

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 18 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) 0.70 2.17 -88.81 2 4 2 15 256.438 0
Hi High (pH 8-9.5) 0.70 -1.07 -1.03 0 4 0 13 254.422 0
Hi High (pH 8-9.5) 0.70 1.85 -34.74 1 4 1 14 255.43 0
Hi High (pH 8-9.5) 0.70 -1.14 -30.32 1 4 1 14 255.43 0
Lo Low (pH 4.5-6) 0.70 4.64 -200.34 3 4 3 17 257.446 0

Activity (Go SEA)

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