UCSF

ZINC42593604

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 2.06 6.79 -109.25 3 2 2 21 198.354 5
Hi High (pH 8-9.5) 2.06 5.24 -31.34 2 2 1 20 197.346 5
Mid Mid (pH 6-8) 2.06 5.47 -29.8 2 2 1 16 197.346 5

Activity (Go SEA)

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