UCSF

ZINC08410966

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2006 22 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) 4.98 9.13 -45.15 0 3 -1 44 307.398 3
Lo Low (pH 4.5-6) 4.98 9.82 -13.76 1 3 0 42 308.406 3

Activity (Go SEA)

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