UCSF

ZINC38571024

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 28 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) 0.30 9.18 -51.31 2 9 -1 119 386.432 6
Mid Mid (pH 6-8) 0.30 10.22 -51.56 3 9 0 121 387.44 6

Activity (Go SEA)

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