UCSF

ZINC37790593

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) 0.12 6.43 -18.15 0 5 0 54 253.327 3
Lo Low (pH 4.5-6) 0.12 6.87 -44.56 1 5 1 55 254.335 3

Activity (Go SEA)

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