UCSF

ZINC16042583

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2008 27 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) 2.56 4.85 -8.58 2 6 0 79 381.819 1
Mid Mid (pH 6-8) 2.56 6.16 -51.6 3 6 1 83 382.827 1

Activity (Go SEA)

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