UCSF

ZINC39767151

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 25 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) 5.29 5.9 -12.24 1 5 0 68 390.251 3
Mid Mid (pH 6-8) 5.36 3.56 -49.76 0 5 -1 74 389.243 3

Activity (Go SEA)

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