UCSF

ZINC13341122

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 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) 2.34 3.28 -59.97 1 5 -1 86 256.303 5
Hi High (pH 8-9.5) 2.34 3.36 -110.27 0 5 -2 88 255.295 5

Activity (Go SEA)

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