UCSF

ZINC61820566

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 15 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 7.38 -36.47 1 3 1 31 214.329 4
Hi High (pH 8-9.5) 2.06 5.65 -5.2 0 3 0 30 213.321 4

Activity (Go SEA)

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