UCSF

ZINC13733302

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 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) 1.31 1.58 -28.42 2 10 0 139 467.525 6
Hi High (pH 8-9.5) 1.31 1.66 -70.99 1 10 -1 141 466.517 6

Activity (Go SEA)

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