UCSF

ZINC36749550

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 18 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) 0.72 -0.23 -12.72 4 6 0 96 246.27 3
Lo Low (pH 4.5-6) 0.72 -0.11 -35.22 5 6 1 97 247.278 3

Activity (Go SEA)

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