UCSF

ZINC35436971

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.19 3.97 -14.96 0 8 0 79 361.446 7
Mid Mid (pH 6-8) -0.19 6.25 -53.34 1 8 1 80 362.454 7

Activity (Go SEA)

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