UCSF

ZINC30018596

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2009 25 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) 0.19 2.88 -17.89 2 7 0 89 346.431 3
Lo Low (pH 4.5-6) 0.19 3.17 -54.2 3 7 1 90 347.439 3

Activity (Go SEA)

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