UCSF

ZINC22752044

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 35 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) 4.74 12.57 -15.64 0 8 0 92 493.585 9
Lo Low (pH 4.5-6) 4.74 13.02 -57.71 1 8 1 93 494.593 9

Activity (Go SEA)

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