UCSF

ZINC34527811

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 11 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) -1.31 -1.48 -17.07 3 4 0 73 173.193 2
Lo Low (pH 4.5-6) -1.31 -1.61 -61.17 4 4 1 74 174.201 2

Activity (Go SEA)

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