UCSF

ZINC03872946

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 31 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) 6.12 6.71 -15.33 3 6 0 100 420.461 3
Hi High (pH 8-9.5) 6.12 7.4 -64.11 2 6 -1 103 419.453 3

Activity (Go SEA)

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