UCSF

ZINC44687037

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 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) 2.54 8.57 -35.51 2 3 1 29 274.432 4
Hi High (pH 8-9.5) 2.54 6.12 -5.47 1 3 0 28 273.424 4
Mid Mid (pH 6-8) 2.54 8.95 -75.28 3 3 2 31 275.44 4
Mid Mid (pH 6-8) 2.54 9.29 -31.42 4 3 0 35 276.448 4

Activity (Go SEA)

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