UCSF

ZINC38000843

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 1.06 1.21 -36.69 4 4 1 60 202.322 7
Hi High (pH 8-9.5) 1.06 -0.14 -36.72 4 4 1 63 202.322 7
Hi High (pH 8-9.5) 1.06 -1.26 -8.35 3 4 0 58 201.314 7
Lo Low (pH 4.5-6) 1.06 2.35 -104.46 5 4 2 64 203.33 7

Activity (Go SEA)

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