UCSF

ZINC20441588

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 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) 0.90 4.27 -113.58 3 4 2 34 255.406 5
Mid Mid (pH 6-8) 0.90 5.32 -87.81 3 4 2 30 255.406 5
Mid Mid (pH 6-8) 0.90 2.98 -38.5 2 4 1 29 254.398 5
Lo Low (pH 4.5-6) 0.90 6.61 -198.67 4 4 3 35 256.414 5

Activity (Go SEA)

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