UCSF

ZINC37043298

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 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) 0.16 3.37 -54.02 4 5 0 97 256.327 6
Hi High (pH 8-9.5) 0.16 3.04 -48.22 3 5 -1 95 255.319 6

Activity (Go SEA)

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