UCSF

ZINC34967101

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 26 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) 3.08 8.99 -15.93 0 6 0 69 362.414 4
Lo Low (pH 4.5-6) 3.08 9.44 -45.47 1 6 1 71 363.422 4

Activity (Go SEA)

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