UCSF

ZINC06639007

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2006 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) 3.43 9.15 -45.68 2 3 1 34 303.813 6
Hi High (pH 8-9.5) 3.43 6.91 -8.74 1 3 0 32 302.805 6

Activity (Go SEA)

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