UCSF

ZINC37053856

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 4.68 4.96 -34.59 2 4 -1 74 385.079 3
Mid Mid (pH 6-8) 4.68 4.39 -9.48 3 4 0 72 386.087 3

Activity (Go SEA)

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