UCSF

ZINC45613392

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 22 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) 0.99 3.69 -12.71 2 6 0 69 306.362 4
Mid Mid (pH 6-8) 0.99 4.04 -50.55 3 6 1 73 307.37 4

Activity (Go SEA)

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