UCSF

ZINC44269018

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 20 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) 4.61 7.76 -7.23 3 3 0 55 304.18 2
Lo Low (pH 4.5-6) 4.61 7.93 -28.78 4 3 1 56 305.188 2

Activity (Go SEA)

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