UCSF

ZINC34930219

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 37 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) 4.10 9.02 -57.57 0 8 -1 91 507.607 12
Mid Mid (pH 6-8) 4.10 11.29 -70.29 1 8 0 93 508.615 12
Lo Low (pH 4.5-6) 4.10 10.55 -52.38 2 8 1 90 509.623 12

Activity (Go SEA)

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