UCSF

ZINC53113854

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 16 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) 2.57 2.09 -3.8 4 3 0 58 220.316 3
Lo Low (pH 4.5-6) 2.57 1.97 -38.87 5 3 1 60 221.324 3

Activity (Go SEA)

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