UCSF

ZINC34526993

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 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) 5.18 8.75 -9.87 2 5 0 71 387.892 5
Mid Mid (pH 6-8) 5.18 8.82 -24.33 2 5 0 74 387.892 5
Mid Mid (pH 6-8) 5.18 8.64 -40.7 1 5 -1 73 386.884 5

Activity (Go SEA)

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