UCSF

ZINC42833993

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 40 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) 2.19 2.16 -48.88 6 11 1 167 556.588 3
Hi High (pH 8-9.5) 2.19 -0.01 -17.38 5 11 0 166 555.58 3

Activity (Go SEA)

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