UCSF

ZINC37084270

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 13 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) 0.88 3.19 -98.16 4 3 2 41 188.315 5
Hi High (pH 8-9.5) 0.88 1.69 -32.8 3 3 1 37 187.307 5
Mid Mid (pH 6-8) 0.88 3.74 -38.61 3 3 1 44 187.307 5

Activity (Go SEA)

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