UCSF

ZINC39696654

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) 1.10 4.85 -51.26 3 7 1 78 421.606 6
Mid Mid (pH 6-8) 1.10 7.28 -106.86 4 7 2 80 422.614 6

Activity (Go SEA)

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