UCSF

ZINC36677462

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 12 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) -0.64 0.15 -113.36 5 4 2 61 173.26 3
Hi High (pH 8-9.5) -0.64 -1.83 -48.72 4 4 1 60 172.252 3
Hi High (pH 8-9.5) -0.64 -0.22 -43.63 4 4 1 60 172.252 3
Hi High (pH 8-9.5) -0.64 -2.21 -7.53 3 4 0 58 171.244 3

Activity (Go SEA)

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