UCSF

ZINC36879128

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 11 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) 0.61 4.18 -113.8 4 2 2 32 158.289 1
Hi High (pH 8-9.5) 0.61 2.19 -38.89 3 2 1 31 157.281 1
Hi High (pH 8-9.5) 0.61 3.62 -31.37 3 2 1 30 157.281 1

Activity (Go SEA)

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