UCSF

ZINC04749787

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 28 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) 6.20 9.88 -7.82 2 4 0 58 390.87 5
Ref Reference (pH 7) 6.20 9.82 -9.63 2 4 0 58 390.87 5
Hi High (pH 8-9.5) 6.20 10.59 -55.5 1 4 -1 61 389.862 5
Hi High (pH 8-9.5) 6.20 10.61 -43.58 1 4 -1 61 389.862 5

Activity (Go SEA)

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