UCSF

ZINC39681199

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 32 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) 1.68 7.79 -59.23 3 6 1 79 463.936 4
Lo Low (pH 4.5-6) 1.68 8.26 -109.34 4 6 2 80 464.944 4

Activity (Go SEA)

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