UCSF

ZINC34626480

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 14 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) 2.02 2.04 -10.79 1 4 0 56 261.071 3
Mid Mid (pH 6-8) 2.02 3.07 -46.41 0 4 -1 59 260.063 3

Activity (Go SEA)

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