UCSF

ZINC03305565

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 29 Yes

Download: MOL2 SDF SMILES Flexibase

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) 5.36 6.19 -14.68 2 4 0 65 386.495 6
Mid Mid (pH 6-8) 5.36 7.5 -29.52 3 4 1 67 387.503 6
Mid Mid (pH 6-8) 5.36 7.49 -29.55 3 4 1 67 387.503 6

Activity (Go SEA)

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