UCSF

ZINC39696788

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) 0.81 3.23 -52.13 3 8 1 88 510.453 5
Mid Mid (pH 6-8) 0.81 5.65 -107.08 4 8 2 89 511.461 5

Activity (Go SEA)

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