UCSF

ZINC02787983

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 22 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) 3.03 8.06 -40.07 0 6 -1 87 316.293 2
Mid Mid (pH 6-8) 2.58 9.36 -15.87 1 6 0 84 317.301 2

Activity (Go SEA)

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