UCSF

ZINC61995318

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2011 17 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) 2.28 3.2 -46.99 3 3 1 40 255.769 6
Hi High (pH 8-9.5) 2.28 3.97 -60.85 2 3 0 43 254.761 6
Mid Mid (pH 6-8) 2.28 4.29 -36.28 3 3 1 37 255.769 6
Mid Mid (pH 6-8) 2.28 5.65 -121.66 4 3 2 41 256.777 6

Activity (Go SEA)

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