UCSF

ZINC41684624

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 17 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) 1.12 2.85 -11.03 1 6 0 76 266.363 10
Hi High (pH 8-9.5) 1.12 2.47 -43.82 0 6 -1 78 265.355 10

Activity (Go SEA)

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