UCSF

ZINC36617122

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 29 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) 3.90 9.4 -69.14 1 9 -1 141 394.363 6
Mid Mid (pH 6-8) 3.90 10.17 -93.29 0 9 -2 144 393.355 6

Activity (Go SEA)

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