UCSF

ZINC43400986

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 1.16 5.84 -34.52 4 4 1 68 247.366 2
Hi High (pH 8-9.5) 1.16 6.88 -7.6 3 4 0 66 246.358 2
Lo Low (pH 4.5-6) 1.16 6.26 -89.6 5 4 2 69 248.374 2

Activity (Go SEA)

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