UCSF

ZINC04385296

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2005 23 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) 2.42 7.39 -16.83 2 6 0 94 347.469 5
Hi High (pH 8-9.5) 2.42 7.23 -42.65 1 6 -1 93 346.461 5

Activity (Go SEA)

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