UCSF

ZINC33106406

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2009 33 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) 2.82 7.96 -60.36 3 7 1 79 446.575 6
Mid Mid (pH 6-8) 2.82 7.83 -66.66 3 7 1 79 446.575 6
Mid Mid (pH 6-8) 2.82 5.49 -24.25 2 7 0 78 445.567 6

Activity (Go SEA)

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