UCSF

ZINC59826345

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 37 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) 3.62 11.5 -53.99 4 8 1 100 494.623 7
Hi High (pH 8-9.5) 3.62 10.14 -14.5 3 8 0 95 493.615 7
Lo Low (pH 4.5-6) 3.62 11.98 -92.89 5 8 2 101 495.631 7

Activity (Go SEA)

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