UCSF

ZINC05927734

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 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) 0.09 5.01 -53.77 2 7 -1 110 220.212 4
Lo Low (pH 4.5-6) 0.09 0.9 -60.23 3 7 0 111 221.22 4
Lo Low (pH 4.5-6) 0.09 5.28 -58.01 3 7 0 111 221.22 4

Activity (Go SEA)

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