UCSF

ZINC13570751

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 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) 5.32 11.05 -57.13 0 5 -1 73 451.574 5
Mid Mid (pH 6-8) 5.77 11.04 -19.65 1 5 0 71 452.582 4
Mid Mid (pH 6-8) 4.74 11.19 -11.09 0 5 0 67 452.582 5

Activity (Go SEA)

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