UCSF

ZINC26816324

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 25 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) 4.05 10.17 -45.52 1 3 1 17 349.445 10
Hi High (pH 8-9.5) 4.05 7.84 -5.33 0 3 0 16 348.437 10
Mid Mid (pH 6-8) 4.05 10.33 -46.53 1 3 1 17 349.445 10

Activity (Go SEA)

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