UCSF

ZINC10013826

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2007 34 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) 5.16 9.18 -10.65 3 6 0 97 452.489 5
Mid Mid (pH 6-8) 5.16 8.53 -10.41 3 6 0 97 452.489 5

Activity (Go SEA)

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