UCSF

ZINC16639407

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 30 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) 6.34 14.67 -43.79 1 4 1 39 422.618 7
Ref Reference (pH 7) 6.34 12.49 -10.04 0 4 0 38 421.61 7
Mid Mid (pH 6-8) 6.34 12.37 -10.21 0 4 0 38 421.61 7
Mid Mid (pH 6-8) 6.34 14.79 -42.07 1 4 1 39 422.618 7

Activity (Go SEA)

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