UCSF

ZINC36991726

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 21 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) 4.19 10.69 -45.55 2 1 1 17 351.283 6
Hi High (pH 8-9.5) 4.19 10.91 -4.04 1 1 0 12 350.275 6

Activity (Go SEA)

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