UCSF

ZINC37838428

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) 0.02 3.16 -53.27 0 7 -1 86 310.355 4
Lo Low (pH 4.5-6) 0.02 5.41 -73.1 1 7 0 87 311.363 4

Activity (Go SEA)

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