UCSF

ZINC61820469

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 18 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) 3.78 9.41 -48.88 0 3 -1 43 250.293 2
Mid Mid (pH 6-8) 3.78 9.27 -36.27 1 3 0 45 251.301 2

Activity (Go SEA)

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