UCSF

ZINC28537370

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 16 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) -0.14 3.93 -70.02 2 5 0 74 226.276 4
Lo Low (pH 4.5-6) -0.14 2.81 -43.62 3 5 1 71 227.284 4

Activity (Go SEA)

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