UCSF

ZINC11935026

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 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) 2.33 0.71 -19.19 1 6 0 69 384.524 7
Mid Mid (pH 6-8) 2.33 0.92 -37.78 2 6 1 70 385.532 7

Activity (Go SEA)

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