UCSF

ZINC02960204

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 32 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) 4.01 11.31 -35.37 1 6 0 79 447.56 8
Hi High (pH 8-9.5) 3.36 -3.29 -50.15 0 6 -1 80 446.552 8

Activity (Go SEA)

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