UCSF

ZINC16599548

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 33 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) 4.94 10.19 -47.23 3 6 1 80 487.045 8
Hi High (pH 8-9.5) 4.94 8.6 -42.04 1 6 -1 81 485.029 8
Mid Mid (pH 6-8) 4.94 7.64 -11.24 2 6 0 79 486.037 8
Mid Mid (pH 6-8) 4.94 10.21 -62.52 2 6 0 82 486.037 8

Activity (Go SEA)

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