UCSF

ZINC33745211

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 32 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) 6.48 14.02 -29.22 2 6 1 70 432.544 8
Mid Mid (pH 6-8) 6.48 13.74 -22.52 1 6 0 69 431.536 8
Mid Mid (pH 6-8) 6.48 14.24 -49.98 2 6 1 73 432.544 8
Lo Low (pH 4.5-6) 6.48 14.52 -95.72 3 6 2 75 433.552 8

Activity (Go SEA)

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