UCSF

ZINC60698580

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 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) 1.58 6.14 -50.06 3 1 1 28 214.279 4
Hi High (pH 8-9.5) 1.58 5.84 -2 2 1 0 26 213.271 4

Activity (Go SEA)

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