UCSF

ZINC43416230

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 1.19 7.03 -127.79 4 4 2 69 265.401 7
Mid Mid (pH 6-8) 1.19 6.73 -41.8 3 4 1 67 264.393 7
Mid Mid (pH 6-8) 1.19 5.61 -50.9 3 4 1 68 264.393 7

Activity (Go SEA)

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