UCSF

ZINC37049330

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) -0.11 3.08 -94.6 5 5 2 64 284.448 8
Hi High (pH 8-9.5) -0.11 0.83 -47.37 4 5 1 63 283.44 8
Mid Mid (pH 6-8) -0.11 3.07 -84.78 5 5 2 64 284.448 8

Activity (Go SEA)

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