UCSF

ZINC37022380

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 2.00 6.75 -59.58 1 5 0 63 239.271 6
Hi High (pH 8-9.5) 2.00 4.25 -58.98 0 5 -1 62 238.263 6

Activity (Go SEA)

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