UCSF

ZINC20905575

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 26 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) 4.04 11 -39.62 1 4 1 26 353.534 4
Mid Mid (pH 6-8) 4.04 10.85 -36.79 1 4 1 26 353.534 4
Mid Mid (pH 6-8) 4.04 8.53 -7.56 0 4 0 24 352.526 4

Activity (Go SEA)

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