UCSF

ZINC54403622

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 11 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) 1.26 0.95 -7 1 3 0 42 172.253 2
Mid Mid (pH 6-8) 1.99 0.26 -41.02 0 3 -1 39 171.245 2

Activity (Go SEA)

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