UCSF

ZINC43453285

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 16 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) 0.04 3.58 -42.13 2 4 1 40 230.376 7
Hi High (pH 8-9.5) 0.04 2.43 -8.08 1 4 0 36 229.368 7
Mid Mid (pH 6-8) 0.04 4.44 -34.02 2 4 1 37 230.376 7
Mid Mid (pH 6-8) 0.04 5.73 -114.17 3 4 2 41 231.384 7

Activity (Go SEA)

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