UCSF

ZINC45651688

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 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) 1.13 3.66 -31.51 2 4 1 29 256.414 5
Hi High (pH 8-9.5) 1.13 2.06 -39.35 2 4 1 32 256.414 5
Hi High (pH 8-9.5) 1.13 1.31 -1.77 1 4 0 28 255.406 5
Mid Mid (pH 6-8) 1.13 5.34 -90.07 3 4 2 30 257.422 5
Lo Low (pH 4.5-6) 1.13 6.27 -207.55 4 4 3 35 258.43 5

Activity (Go SEA)

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