UCSF

ZINC37085411

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 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) 0.98 3.24 -15.87 1 5 0 72 315.366 4
Lo Low (pH 4.5-6) 0.98 3.21 -63.18 2 5 1 77 316.374 4

Activity (Go SEA)

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