UCSF

ZINC04385692

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2005 27 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) 3.83 10.17 -17.92 1 5 0 56 385.895 9
Mid Mid (pH 6-8) 3.83 10.46 -39.63 2 5 1 57 386.903 9

Activity (Go SEA)

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