UCSF

ZINC35281477

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 19 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) 1.27 6.1 -58.7 0 5 -1 64 269.365 6
Mid Mid (pH 6-8) 1.27 8.42 -77.64 1 5 0 65 270.373 6
Lo Low (pH 4.5-6) 1.27 5.91 -41.55 2 5 1 62 271.381 6

Activity (Go SEA)

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