UCSF

ZINC01789941

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 36 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) 8.20 21.08 -16.85 0 4 0 35 507.424 5
Lo Low (pH 4.5-6) 8.20 21.28 -29.3 1 4 1 36 508.432 5

Activity (Go SEA)

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