UCSF

ZINC02961701

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 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) 2.36 7.54 -11.62 1 4 0 47 306.412 4
Mid Mid (pH 6-8) 2.82 6.18 -43.85 0 4 -1 50 305.404 4

Activity (Go SEA)

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