UCSF

ZINC36872951

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 Yes

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) -0.57 -0.77 -48.23 4 5 1 77 200.262 3
Hi High (pH 8-9.5) -0.57 -1.07 -8.44 3 5 0 75 199.254 3

Activity (Go SEA)

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