UCSF

ZINC33724543

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 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) 2.92 7.1 -7.67 0 2 0 17 174.247 1
Lo Low (pH 4.5-6) 2.92 7.5 -25.69 1 2 1 19 175.255 1

Activity (Go SEA)

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