UCSF

ZINC35037044

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 Yes

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) 3.05 7.36 -41.08 1 4 1 34 356.284 6
Mid Mid (pH 6-8) 3.05 5.09 -9.96 0 4 0 33 355.276 6
Mid Mid (pH 6-8) 3.05 7.29 -46.09 1 4 1 34 356.284 6

Activity (Go SEA)

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