UCSF

ZINC35016874

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 3.77 10.2 -35.28 1 4 -1 57 377.486 6
Mid Mid (pH 6-8) 4.52 11.3 -12.89 2 4 0 50 378.494 7

Activity (Go SEA)

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