UCSF

ZINC37857207

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 13 No

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) 1.59 4.84 -7.96 1 2 0 36 192.287 5
Lo Low (pH 4.5-6) 1.59 6.2 -56.64 2 2 1 40 193.295 5

Activity (Go SEA)

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