UCSF

ZINC43460489

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 2.80 6.97 -9.37 0 4 0 48 283.327 3
Lo Low (pH 4.5-6) 2.80 7.44 -40.03 1 4 1 50 284.335 3

Activity (Go SEA)

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