UCSF

ZINC34934620

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 35 No

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) 3.56 11.42 -56.01 0 7 -1 92 491.951 9
Lo Low (pH 4.5-6) 3.56 10.66 -15.84 1 7 0 89 492.959 9
Lo Low (pH 4.5-6) 3.56 11.12 -53.96 2 7 1 90 493.967 9

Activity (Go SEA)

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