UCSF

ZINC03434533

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 27 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) 2.97 -6.77 -16.6 3 8 0 109 404.473 6
Hi High (pH 8-9.5) 2.97 -6.22 -47.07 2 8 -1 111 403.465 6

Activity (Go SEA)

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