UCSF

ZINC20309102

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 33 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) 3.73 11.88 -83.3 2 6 0 85 448.494 7
Mid Mid (pH 6-8) 3.73 12.73 -141.25 1 6 -1 88 447.486 7

Activity (Go SEA)

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