UCSF

ZINC34987137

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 24 No

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) 2.21 6.79 -68.24 4 6 1 84 331.44 8
Hi High (pH 8-9.5) 2.21 8 -102.26 3 6 0 87 330.432 8
Lo Low (pH 4.5-6) 2.21 7.26 -117.66 5 6 2 85 332.448 8

Activity (Go SEA)

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