UCSF

ZINC13523992

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 25 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) -1.65 3.02 -245.77 2 13 -3 201 392.181 6
Mid Mid (pH 6-8) -1.65 1.86 -126.3 3 13 -2 198 393.189 6

Activity (Go SEA)

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