UCSF

ZINC39914094

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.16 7.66 -14.92 2 8 0 97 485.968 9
Mid Mid (pH 6-8) 4.16 8.42 -53.3 1 8 -1 100 484.96 9

Activity (Go SEA)

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