UCSF

ZINC13741808

Substance Information

In ZINC since Heavy atoms Benign functionality
June 24th, 2008 17 No

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) 2.04 7.34 -43.38 4 4 1 54 255.411 9
Mid Mid (pH 6-8) 2.04 6.85 -15.61 3 4 0 53 254.403 9
Mid Mid (pH 6-8) 2.08 6.89 -21.82 3 4 0 55 254.403 8
Lo Low (pH 4.5-6) 2.08 6.88 -73.47 4 4 2 56 256.419 8

Activity (Go SEA)

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