UCSF

ZINC48649934

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.93 5.88 -40.61 3 7 1 79 396.515 8
Mid Mid (pH 6-8) 0.93 5.86 -43.96 3 7 1 79 396.515 8
Mid Mid (pH 6-8) 0.93 3.59 -9.62 2 7 0 78 395.507 8
Lo Low (pH 4.5-6) 0.93 6.23 -76.36 4 7 2 80 397.523 8

Activity (Go SEA)

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