UCSF

ZINC12544507

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 21 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) 3.23 7.94 -14.62 1 5 0 60 383.296 3
Mid Mid (pH 6-8) 3.23 8.25 -36.32 2 5 1 61 384.304 3

Activity (Go SEA)

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