UCSF

ZINC35088064

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 18 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) 0.90 0.12 -39.5 6 5 1 100 254.354 7
Mid Mid (pH 6-8) 0.90 -0.24 -10.8 5 5 0 98 253.346 7

Activity (Go SEA)

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