UCSF

ZINC08587667

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2007 24 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) 4.17 7.43 -17.12 1 4 0 59 360.866 4
Hi High (pH 8-9.5) 4.17 6.53 -41.17 0 4 -1 61 359.858 4

Activity (Go SEA)

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