UCSF

ZINC34949747

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 2.63 3.83 -7.94 1 4 0 40 223.272 3
Lo Low (pH 4.5-6) 2.63 4.09 -39.65 2 4 1 44 224.28 3

Activity (Go SEA)

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