UCSF

ZINC45702243

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 17 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) -0.26 4.31 -107.5 4 5 2 68 246.351 9
Hi High (pH 8-9.5) -0.26 3.4 -28.33 2 5 0 66 244.335 9
Mid Mid (pH 6-8) -0.26 4.8 -44.14 3 5 1 70 245.343 9
Mid Mid (pH 6-8) -0.26 2.89 -37 3 5 1 63 245.343 9

Activity (Go SEA)

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