UCSF

ZINC27018082

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 31 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) 4.94 12.95 -17.63 0 5 0 51 428.561 4
Lo Low (pH 4.5-6) 4.94 13.87 -34.17 1 5 1 52 429.569 4

Activity (Go SEA)

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