UCSF

ZINC40154771

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 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) 1.78 6.74 -20.28 1 9 0 88 455.485 8
Mid Mid (pH 6-8) 1.78 9.01 -55.36 2 9 1 89 456.493 8

Activity (Go SEA)

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