UCSF

ZINC36170429

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 0.84 5.4 -101.36 4 4 2 48 236.363 3
Hi High (pH 8-9.5) 0.84 3.26 -47.16 3 4 1 47 235.355 3
Mid Mid (pH 6-8) 0.84 5.89 -184.69 5 4 3 49 237.371 3

Activity (Go SEA)

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