UCSF

ZINC11785485

Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2008 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) 2.90 -1.25 -17.69 1 5 0 62 429.923 6
Lo Low (pH 4.5-6) 2.90 -1.13 -45.61 2 5 1 64 430.931 6

Activity (Go SEA)

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