UCSF

ZINC36156874

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 30 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.47 6.09 -15.58 2 7 0 92 429.542 10
Mid Mid (pH 6-8) 2.47 8.26 -51.05 3 7 1 93 430.55 10

Activity (Go SEA)

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