UCSF

ZINC41678034

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 1.43 9.79 -67.29 1 6 0 75 300.428 9
Hi High (pH 8-9.5) 1.43 7.95 -48.1 0 6 -1 74 299.42 9

Activity (Go SEA)

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