UCSF

ZINC36273231

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 26 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) 1.47 4.6 -41.59 4 7 1 86 357.434 7
Hi High (pH 8-9.5) 1.47 2.22 -14.55 3 7 0 85 356.426 7
Mid Mid (pH 6-8) 1.47 4.86 -91.71 5 7 2 88 358.442 7

Activity (Go SEA)

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