UCSF

ZINC12560705

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 33 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) 2.30 9.24 -22.68 1 8 0 93 468.579 5
Hi High (pH 8-9.5) 2.30 9.31 -58.06 0 8 -1 95 467.571 5

Activity (Go SEA)

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