UCSF

ZINC31259150

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2009 13 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) -4.02 -3.06 -47.94 3 7 -1 135 191.115 5
Hi High (pH 8-9.5) -4.02 -2.56 -103.14 2 7 -2 138 190.107 5

Activity (Go SEA)

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