UCSF

ZINC33809836

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 23 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) 1.95 7.26 -29.9 1 6 0 81 310.309 4
Lo Low (pH 4.5-6) 1.95 7.7 -59.4 2 6 1 83 311.317 4

Activity (Go SEA)

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