UCSF

ZINC25151234

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 27 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) 3.01 9.78 -49.21 3 6 1 82 364.473 5
Hi High (pH 8-9.5) 3.01 7.55 -15.2 2 6 0 81 363.465 5
Lo Low (pH 4.5-6) 3.01 10.07 -105.93 4 6 2 83 365.481 5

Activity (Go SEA)

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