UCSF

ZINC13552406

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 35 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) 6.23 12.85 -53.42 0 6 -1 83 503.987 6
Mid Mid (pH 6-8) 6.68 12.77 -18.12 1 6 0 80 504.995 5

Activity (Go SEA)

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