UCSF

ZINC31720973

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2009 21 Yes

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) 2.89 2.54 -46.12 2 5 -1 91 388.65 4
Mid Mid (pH 6-8) 2.89 2.46 -19.54 3 5 0 89 389.658 4

Activity (Go SEA)

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