UCSF

ZINC61820334

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 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) 1.74 4.61 -100.58 5 3 2 56 199.342 3
Hi High (pH 8-9.5) 1.74 2.66 -31.51 4 3 1 55 198.334 3

Activity (Go SEA)

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