UCSF

ZINC40417811

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 23 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 7.95 -59.81 1 5 -1 78 309.345 6
Lo Low (pH 4.5-6) 2.90 8.2 -56.52 2 5 0 79 310.353 6

Activity (Go SEA)

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