UCSF

ZINC39696716

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 30 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) 1.31 3.73 -47.43 3 7 1 78 421.606 4
Mid Mid (pH 6-8) 1.31 6.15 -100.48 4 7 2 80 422.614 4

Activity (Go SEA)

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