UCSF

ZINC08198734

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) 3.50 7.21 -13.22 1 4 0 62 314.291 4
Hi High (pH 8-9.5) 3.69 5.57 -41.9 0 4 -1 68 313.283 4

Activity (Go SEA)

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