UCSF

ZINC08204180

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 23 No

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) 2.51 7.97 -49.94 3 5 1 63 320.457 7
Hi High (pH 8-9.5) 2.51 5.76 -17.13 2 5 0 61 319.449 7

Activity (Go SEA)

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