UCSF

ZINC17122710

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2008 27 No

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) 2.76 6.29 -45.87 1 6 -1 87 381.433 4
Hi High (pH 8-9.5) 2.76 7.21 -99.11 0 6 -2 90 380.425 4
Lo Low (pH 4.5-6) 2.31 8.26 -11.91 2 6 0 84 382.441 4

Activity (Go SEA)

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