UCSF

ZINC38613471

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 33 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) 5.22 6.19 -20.37 4 8 0 126 440.459 6
Hi High (pH 8-9.5) 5.22 5.52 -60.42 3 8 -1 129 439.451 6
Hi High (pH 8-9.5) 5.22 7.2 -66.14 3 8 -1 129 439.451 6

Activity (Go SEA)

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