UCSF

ZINC35870047

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 24 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) 3.16 9.41 -36.03 2 4 1 37 328.48 3
Mid Mid (pH 6-8) 3.16 7.18 -8.71 1 4 0 36 327.472 3

Activity (Go SEA)

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