UCSF

ZINC19884667

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 29 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) 1.95 8.06 -86.19 1 7 0 83 416.499 8
Hi High (pH 8-9.5) 1.95 5.53 -62.9 0 7 -1 82 415.491 8

Activity (Go SEA)

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