UCSF

ZINC25522043

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 30 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) 3.52 7.19 -62.71 1 6 -1 90 436.538 7
Mid Mid (pH 6-8) 3.52 7.19 -21.16 2 6 0 88 437.546 7
Lo Low (pH 4.5-6) 3.52 7.62 -53.26 3 6 1 89 438.554 7

Activity (Go SEA)

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