UCSF

ZINC13460419

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 27 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) 2.21 5.68 -54.3 2 7 -1 115 387.437 8
Hi High (pH 8-9.5) 2.21 5.76 -92.21 1 7 -2 117 386.429 8

Activity (Go SEA)

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