UCSF

ZINC35270178

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 10 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) -0.65 1.55 -50.11 2 3 1 37 141.194 0
Hi High (pH 8-9.5) -0.65 0.19 -7.76 1 3 0 32 140.186 0

Activity (Go SEA)

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