UCSF

ZINC00936918

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 32 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) 3.53 10.6 -15.16 2 9 0 103 434.5 6
Lo Low (pH 4.5-6) 3.71 10.86 -36.92 3 9 1 108 435.508 6

Activity (Go SEA)

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