UCSF

ZINC14083490

Substance Information

In ZINC since Heavy atoms Benign functionality
July 2nd, 2008 30 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) 1.40 7.31 -14.74 0 7 0 58 410.518 6
Mid Mid (pH 6-8) 1.40 9.59 -56.42 1 7 1 59 411.526 6

Activity (Go SEA)

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