UCSF

ZINC41651347

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 13 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) 3.15 5.51 -7.9 1 2 0 25 192.287 1
Lo Low (pH 4.5-6) 3.15 5.91 -23.93 2 2 1 26 193.295 1

Activity (Go SEA)

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