UCSF

ZINC37849113

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.05 0.7 -43.81 3 5 1 59 275.413 11
Mid Mid (pH 6-8) 0.05 1.73 -36.02 3 5 1 55 275.413 11
Lo Low (pH 4.5-6) 0.05 3.02 -112.33 4 5 2 60 276.421 11

Activity (Go SEA)

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