UCSF

ZINC13782292

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 26 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) 3.03 10.16 -53.06 2 4 1 50 393.338 6
Lo Low (pH 4.5-6) 3.03 10.44 -117.89 3 4 2 51 394.346 6

Activity (Go SEA)

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