UCSF

ZINC20310262

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 31 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) 3.30 8.22 -77.73 2 7 0 94 444.553 10
Mid Mid (pH 6-8) 3.30 9.24 -135.56 1 7 -1 97 443.545 10

Activity (Go SEA)

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