UCSF

ZINC43390416

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 3.32 6.93 -58.08 3 2 1 31 307.82 5
Mid Mid (pH 6-8) 3.32 9.18 -134.89 4 2 2 32 308.828 5
Mid Mid (pH 6-8) 3.32 9.46 -39.04 3 2 1 30 307.82 5

Activity (Go SEA)

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