UCSF

ZINC31946049

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 13 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) 1.04 3.24 -8.55 0 3 0 24 204.701 3
Mid Mid (pH 6-8) 1.04 5.57 -48.51 1 3 1 25 205.709 3

Activity (Go SEA)

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