UCSF

ZINC36732148

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 16 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) -1.02 2.29 -111.03 5 5 2 64 228.34 7
Hi High (pH 8-9.5) -1.02 1.91 -39 4 5 1 63 227.332 7
Mid Mid (pH 6-8) -1.02 0.2 -52.96 4 5 1 63 227.332 7

Activity (Go SEA)

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