UCSF

ZINC37823643

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) 1.51 5.8 -42.29 2 4 1 40 268.425 7
Hi High (pH 8-9.5) 1.51 6.65 -44.26 2 4 1 37 268.425 7
Hi High (pH 8-9.5) 1.51 4.43 -6.9 1 4 0 36 267.417 7
Mid Mid (pH 6-8) 1.51 8.01 -102.17 3 4 2 41 269.433 7

Activity (Go SEA)

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