UCSF

ZINC44648258

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 0.67 3.56 -45.26 3 5 1 62 223.3 5
Hi High (pH 8-9.5) 0.67 2.2 -9.62 2 5 0 57 222.292 5
Mid Mid (pH 6-8) 0.67 3.91 -86.91 4 5 2 63 224.308 5

Activity (Go SEA)

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