UCSF

ZINC34674790

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 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) 3.14 10.51 -14.83 0 4 0 51 277.327 5
Lo Low (pH 4.5-6) 3.14 10.98 -40.32 1 4 1 52 278.335 5

Activity (Go SEA)

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