UCSF

ZINC35773286

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 18 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) 0.09 4.36 -54.06 2 5 1 57 254.354 3
Mid Mid (pH 6-8) 0.09 3.06 -9.42 1 5 0 53 253.346 3

Activity (Go SEA)

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