UCSF

ZINC44725028

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) 0.41 3.93 -36.16 2 5 1 61 234.316 11
Hi High (pH 8-9.5) 0.41 2.9 -10.22 1 5 0 57 233.308 11

Activity (Go SEA)

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