UCSF

ZINC22935497

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 32 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) 5.06 9.94 -12.83 0 5 0 41 424.548 5
Ref Reference (pH 7) 5.06 10.22 -11.24 0 5 0 41 424.548 5
Mid Mid (pH 6-8) 5.06 12.47 -46.57 1 5 1 42 425.556 5
Mid Mid (pH 6-8) 5.06 12.19 -48.04 1 5 1 42 425.556 5

Activity (Go SEA)

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