UCSF

ZINC02452777

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2004 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) 5.31 14.63 -39.64 1 5 1 48 406.579 8
Hi High (pH 8-9.5) 5.31 12.46 -11.22 0 5 0 47 405.571 8

Activity (Go SEA)

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