UCSF

ZINC44232899

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 18 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) 3.01 4.85 -10.95 1 3 0 42 245.322 4
Lo Low (pH 4.5-6) 3.01 5.33 -29.19 2 3 1 44 246.33 4

Activity (Go SEA)

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