UCSF

ZINC58338413

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 22 No

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) 2.52 5.04 -11.52 0 7 0 86 327.406 6
Mid Mid (pH 6-8) 2.52 7.24 -50.21 1 7 1 88 328.414 6

Activity (Go SEA)

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