UCSF

ZINC36221645

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) -2.50 4.28 -43.76 3 7 1 99 356.402 6
Hi High (pH 8-9.5) -1.87 2.33 -32.11 2 7 0 105 355.394 5
Mid Mid (pH 6-8) -1.87 2.53 -108.04 4 7 2 104 357.41 5

Activity (Go SEA)

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