UCSF

ZINC02703638

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 30 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) 4.60 3.27 -9.95 0 5 0 63 400.409 2
Lo Low (pH 4.5-6) 4.60 3.48 -36.26 1 5 1 64 401.417 2

Activity (Go SEA)

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