UCSF

ZINC35830448

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 29 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) 2.17 9.6 -15.01 0 6 0 53 395.503 7
Mid Mid (pH 6-8) 2.17 11.95 -55.14 1 6 1 54 396.511 7

Activity (Go SEA)

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