UCSF

ZINC53149098

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 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) 3.70 5.8 -11.25 1 3 0 38 301.752 4
Mid Mid (pH 6-8) 3.70 7.17 -57.99 2 3 1 42 302.76 4

Activity (Go SEA)

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