UCSF

ZINC21011113

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 21 No

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) 0.69 2.48 -67.74 5 6 1 89 307.399 5
Hi High (pH 8-9.5) 0.69 0.1 -23.82 4 6 0 87 306.391 5

Activity (Go SEA)

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