UCSF

ZINC29129216

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2009 24 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) 0.96 2.67 -69.12 1 7 -1 90 331.327 3
Lo Low (pH 4.5-6) 0.96 2.09 -17.78 2 7 0 87 332.335 3

Activity (Go SEA)

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