UCSF

ZINC30691071

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 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) 2.83 0.3 -44.82 6 7 1 116 440.026 9
Hi High (pH 8-9.5) 2.83 -0.98 -10.99 5 7 0 111 439.018 9

Activity (Go SEA)

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