UCSF

ZINC12062697

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2008 35 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) 6.46 2.98 -13.96 0 6 0 73 468.553 7
Lo Low (pH 4.5-6) 6.46 3.14 -31.7 1 6 1 74 469.561 7

Activity (Go SEA)

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