UCSF

ZINC37051593

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 0.76 5.73 -34.62 2 4 1 34 251.398 6
Hi High (pH 8-9.5) 0.76 3.61 -5.43 1 4 0 33 250.39 6
Mid Mid (pH 6-8) 0.76 4.77 -40.01 2 4 1 38 251.398 6
Mid Mid (pH 6-8) 0.76 7.1 -115.93 3 4 2 39 252.406 6
Lo Low (pH 4.5-6) 0.76 6.05 -78.25 3 4 2 36 252.406 6

Activity (Go SEA)

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