UCSF

ZINC02335105

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 30 No

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) 4.41 7.15 -23.88 3 7 0 103 491.773 8
Ref Reference (pH 7) 4.41 7.28 -19.73 3 7 0 103 491.773 8
Hi High (pH 8-9.5) 4.86 5.52 -48.09 2 7 -1 107 490.765 8
Hi High (pH 8-9.5) 4.86 5.25 -58.15 2 7 -1 107 490.765 8

Activity (Go SEA)

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