UCSF

ZINC43247764

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 3.35 5.86 -35.41 3 2 1 31 255.451 7
Hi High (pH 8-9.5) 3.35 7.52 -32.22 3 2 1 30 255.451 7
Hi High (pH 8-9.5) 3.35 5.5 -1.25 2 2 0 29 254.443 7
Lo Low (pH 4.5-6) 3.35 7.85 -112.03 4 2 2 32 256.459 7

Activity (Go SEA)

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