UCSF

ZINC62954439

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 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) 4.05 8.76 -35.8 2 2 1 20 261.433 4
Lo Low (pH 4.5-6) 4.05 9.48 -87.2 3 2 2 21 262.441 4

Activity (Go SEA)

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