UCSF

ZINC02986204

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 21 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) 1.35 3.64 -12.33 2 6 0 84 306.705 4
Mid Mid (pH 6-8) 1.80 0.82 -44.27 1 6 -1 87 305.697 4

Activity (Go SEA)

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