UCSF

ZINC11840430

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2008 31 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) 2.26 -3.71 -44.32 2 6 1 69 437.589 5
Lo Low (pH 4.5-6) 2.26 -3.61 -96.94 3 6 2 70 438.597 5

Activity (Go SEA)

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