UCSF

ZINC31933436

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 0.64 3.84 -48.72 2 4 1 37 217.296 2
Hi High (pH 8-9.5) 0.64 2.43 -8.33 1 4 0 33 216.288 2
Mid Mid (pH 6-8) 0.64 4.29 -84.17 3 4 2 38 218.304 2

Activity (Go SEA)

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