UCSF

ZINC02489410

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 35 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) 5.26 2.17 -16.28 0 6 0 72 460.489 5
Lo Low (pH 4.5-6) 5.26 2.33 -35.17 1 6 1 73 461.497 5

Activity (Go SEA)

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