UCSF

ZINC13571556

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 36 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) 5.36 12.36 -58.3 0 6 -1 79 504.99 10
Mid Mid (pH 6-8) 5.81 12.05 -12.45 1 6 0 76 505.998 9

Activity (Go SEA)

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