UCSF

ZINC13827095

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 20 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) 0.76 8.11 -13.31 0 7 0 79 278.312 5
Mid Mid (pH 6-8) 0.76 8.59 -52.01 1 7 1 80 279.32 5

Activity (Go SEA)

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