UCSF

ZINC36559458

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2009 26 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) 6.48 13.44 -7.7 1 2 0 29 376.912 4
Lo Low (pH 4.5-6) 6.48 13.89 -29.29 2 2 1 30 377.92 4

Activity (Go SEA)

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