UCSF

ZINC22454846

Substance Information

In ZINC since Heavy atoms Benign functionality
December 16th, 2008 35 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) 6.77 18.66 -47.53 1 3 1 13 464.677 7
Mid Mid (pH 6-8) 6.77 18.06 -39.07 1 3 1 13 464.677 7
Mid Mid (pH 6-8) 6.77 16.28 -6.85 0 3 0 11 463.669 7

Activity (Go SEA)

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