UCSF

ZINC16711560

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 29 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) 3.96 11.38 -69.72 1 5 0 65 433.335 7
Mid Mid (pH 6-8) 4.41 10.24 -54.92 2 5 1 62 434.343 6
Mid Mid (pH 6-8) 3.38 11.28 -51.94 1 5 1 59 434.343 7

Activity (Go SEA)

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