UCSF

ZINC12341840

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2008 14 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) 0.99 1.33 -40.59 0 3 -1 49 221.286 1
Lo Low (pH 4.5-6) 0.54 3.66 -48.18 2 3 1 47 223.302 1
Lo Low (pH 4.5-6) 0.99 1.81 -64 1 3 0 50 222.294 1

Activity (Go SEA)

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