UCSF

ZINC16733528

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 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) 4.88 11.02 -53.7 0 6 -1 83 515.767 7
Mid Mid (pH 6-8) 5.33 9.97 -27.16 1 6 0 80 516.775 6
Mid Mid (pH 6-8) 4.30 10.98 -19.86 0 6 0 77 516.775 7

Activity (Go SEA)

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