UCSF

ZINC01064516

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2004 22 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) 3.45 6.82 -22.44 2 6 0 84 426.239 5
Hi High (pH 8-9.5) 3.45 6.64 -48.24 1 6 -1 82 425.231 5

Activity (Go SEA)

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