UCSF

ZINC27538063

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 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) 2.73 7.73 -45.16 2 5 1 52 361.437 8
Mid Mid (pH 6-8) 2.73 5.43 -13.5 1 5 0 51 360.429 8

Activity (Go SEA)

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