UCSF

ZINC34478993

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 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) 0.29 1.13 -92.17 4 3 2 36 161.293 7
Hi High (pH 8-9.5) 0.29 -0.3 -36.17 3 3 1 32 160.285 7
Lo Low (pH 4.5-6) 0.29 3.27 -200.13 5 3 3 38 162.301 7

Activity (Go SEA)

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