UCSF

ZINC09019991

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2007 34 No

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) 5.47 11.34 -55.18 0 6 -1 79 505.418 10
Mid Mid (pH 6-8) 5.92 10.33 -30.52 1 6 0 76 506.426 9

Activity (Go SEA)

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