UCSF

ZINC58219030

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2011 25 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) 3.13 6.35 -21.72 2 5 0 67 357.479 8
Mid Mid (pH 6-8) 3.13 7.75 -62.33 3 5 1 72 358.487 8

Activity (Go SEA)

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