UCSF

ZINC44248932

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 14 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) 0.76 0.9 -36.63 4 3 1 61 207.175 2
Mid Mid (pH 6-8) 0.76 0.54 -8.67 3 3 0 59 206.167 2

Activity (Go SEA)

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