UCSF

ZINC37829071

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) 2.73 10.12 -58.63 0 4 -1 60 306.407 5
Lo Low (pH 4.5-6) 2.73 7.96 -11.57 1 4 0 58 307.415 5

Activity (Go SEA)

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