UCSF

ZINC43915102

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 3.18 7.59 -35.4 2 4 1 35 299.479 7
Hi High (pH 8-9.5) 3.18 5.7 -2.06 1 4 0 34 298.471 7
Mid Mid (pH 6-8) 3.18 6.44 -33.79 2 4 1 38 299.479 7

Activity (Go SEA)

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