UCSF

ZINC36783956

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 26 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) 3.74 9.93 -21.34 1 6 0 73 371.824 6
Mid Mid (pH 6-8) 3.74 10.33 -36.43 2 6 1 74 372.832 6

Activity (Go SEA)

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