UCSF

ZINC42550622

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 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) 0.15 3.89 -13.15 1 6 0 80 238.243 5
Hi High (pH 8-9.5) 0.15 2.8 -34.61 1 6 0 84 238.243 5
Mid Mid (pH 6-8) 0.15 4.89 -53.23 0 6 -1 83 237.235 5

Activity (Go SEA)

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