UCSF

ZINC59869647

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2011 37 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) 3.80 11.23 -50.58 4 8 1 101 527.02 8
Mid Mid (pH 6-8) 3.80 8.97 -11.95 3 8 0 100 526.012 8

Activity (Go SEA)

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