UCSF

ZINC36790482

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 14 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) 2.68 6.06 -114.74 4 2 2 32 202.386 6
Hi High (pH 8-9.5) 2.68 4.55 -36.36 3 2 1 31 201.378 6
Mid Mid (pH 6-8) 2.68 5.76 -31.85 3 2 1 30 201.378 6

Activity (Go SEA)

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