UCSF

ZINC09835859

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2007 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 6.59 -12.38 2 5 0 72 322.459 3
Lo Low (pH 4.5-6) 3.14 6.87 -33.35 3 5 1 73 323.467 3
Lo Low (pH 4.5-6) 3.14 3.32 -31.78 3 5 1 73 323.467 3

Activity (Go SEA)

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