UCSF

ZINC36619045

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 31 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) 0.27 4.17 -15.46 0 9 0 93 417.473 4
Mid Mid (pH 6-8) 0.27 6.38 -62.47 1 9 1 94 418.481 4

Activity (Go SEA)

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