UCSF

ZINC19880388

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 12 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) 1.57 3.42 -34.54 2 2 1 20 171.308 3
Lo Low (pH 4.5-6) 1.57 5.78 -97.16 3 2 2 21 172.316 3

Activity (Go SEA)

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