UCSF

ZINC19919451

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 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) 2.45 6.51 -51.04 2 4 1 46 265.377 9
Hi High (pH 8-9.5) 2.45 5.09 -5.45 1 4 0 42 264.369 9
Mid Mid (pH 6-8) 2.45 7.33 -39.65 2 4 1 43 265.377 9
Mid Mid (pH 6-8) 2.45 8.55 -127.26 3 4 2 47 266.385 9

Activity (Go SEA)

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