UCSF

ZINC36613689

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2009 35 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) 3.22 6.94 -14.32 0 8 0 81 472.545 6
Mid Mid (pH 6-8) 3.22 9.14 -65.46 1 8 1 82 473.553 6

Activity (Go SEA)

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