UCSF

ZINC35728244

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 14 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) -0.36 0.94 -36.23 3 4 1 49 198.29 1
Hi High (pH 8-9.5) -0.36 -0.33 -7.7 2 4 0 44 197.282 1
Mid Mid (pH 6-8) -0.36 0.97 -49.88 3 4 1 49 198.29 1
Mid Mid (pH 6-8) -0.36 2.2 -96.8 4 4 2 54 199.298 1

Activity (Go SEA)

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