UCSF

ZINC13943962

Substance Information

In ZINC since Heavy atoms Benign functionality
June 30th, 2008 19 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) 3.31 9.9 -39.27 1 3 1 22 258.389 3
Hi High (pH 8-9.5) 3.31 7.6 -7.7 0 3 0 21 257.381 3

Activity (Go SEA)

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