UCSF

ZINC04079509

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 21 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) 2.82 6.79 -45.26 3 4 1 63 286.351 6
Hi High (pH 8-9.5) 2.82 5.35 -9.16 2 4 0 59 285.343 6

Activity (Go SEA)

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