UCSF

ZINC13010098

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 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) 2.21 9.36 -11.93 0 5 0 44 377.488 5
Mid Mid (pH 6-8) 2.21 11.56 -53.9 1 5 1 45 378.496 5

Activity (Go SEA)

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