UCSF

ZINC45498691

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2010 21 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) 2.25 9.69 -43.99 3 5 1 59 284.387 2
Hi High (pH 8-9.5) 2.25 7.33 -7.86 2 5 0 58 283.379 2
Mid Mid (pH 6-8) 2.25 10.07 -94.76 4 5 2 61 285.395 2
Mid Mid (pH 6-8) 2.25 10.08 -84.02 4 5 2 61 285.395 2

Activity (Go SEA)

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