UCSF

ZINC02404048

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 29 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) 4.51 2.56 -11.11 0 5 0 63 382.419 2
Lo Low (pH 4.5-6) 4.51 2.78 -34.08 1 5 1 64 383.427 2

Activity (Go SEA)

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