UCSF

ZINC35597434

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 30 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) 2.57 2.51 -12.61 2 8 0 111 441.387 8
Hi High (pH 8-9.5) 2.57 2.62 -37.76 1 8 -1 113 440.379 8
Lo Low (pH 4.5-6) 2.57 2.98 -44.14 3 8 1 112 442.395 8

Activity (Go SEA)

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