UCSF

ZINC35894311

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 28 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) 1.15 3.63 -17.07 1 9 0 100 390.44 5
Mid Mid (pH 6-8) 1.15 5.9 -53.35 2 9 1 101 391.448 5

Activity (Go SEA)

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