UCSF

ZINC03225446

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 29 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) 4.67 -4.18 -14.07 2 5 0 75 408.523 8
Hi High (pH 8-9.5) 4.67 -3.6 -44.26 1 5 -1 77 407.515 8

Activity (Go SEA)

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