UCSF

ZINC03353743

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 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) 2.23 7.56 -13.02 1 7 0 101 326.337 4
Hi High (pH 8-9.5) 2.29 5.29 -35.81 0 7 -1 107 325.329 4

Activity (Go SEA)

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