UCSF

ZINC44799381

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2010 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) -0.15 3.16 -49.53 3 4 1 61 222.312 5
Lo Low (pH 4.5-6) -0.15 3.53 -86.23 4 4 2 62 223.32 5

Activity (Go SEA)

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