UCSF

ZINC40488325

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 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) 1.90 3.33 -8.59 2 4 0 62 189.218 2
Ref Reference (pH 7) 1.90 3.29 -9.82 2 4 0 62 189.218 2
Hi High (pH 8-9.5) 1.90 4.11 -47.02 1 4 -1 65 188.21 2
Mid Mid (pH 6-8) 1.90 4.06 -52.36 1 4 -1 65 188.21 2

Activity (Go SEA)

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