UCSF

ZINC43704934

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 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) 2.61 8.6 -48.11 1 4 0 54 243.347 7
Mid Mid (pH 6-8) 2.61 6.73 -46.04 0 4 -1 53 242.339 7

Activity (Go SEA)

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