UCSF

ZINC37835748

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 19 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) 0.84 7.98 -67.66 1 5 0 65 266.341 3
Lo Low (pH 4.5-6) 0.84 5.99 -39.18 2 5 1 62 267.349 3

Activity (Go SEA)

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