UCSF

ZINC41681973

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) 0.55 2.04 -49.68 2 5 1 63 265.399 5
Hi High (pH 8-9.5) 0.55 0.68 -8.76 1 5 0 59 264.391 5

Activity (Go SEA)

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