UCSF

ZINC72118788

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2012 26 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) 3.69 9.71 -50.03 1 5 1 41 354.426 3
Mid Mid (pH 6-8) 3.69 7.34 -9.2 0 5 0 40 353.418 3

Activity (Go SEA)

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