UCSF

ZINC37048944

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 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) 0.26 2.8 -93.9 5 5 2 64 270.421 7
Hi High (pH 8-9.5) 0.26 0.26 -7.49 3 5 0 62 268.405 7
Mid Mid (pH 6-8) 0.26 2.61 -106.93 5 5 2 64 270.421 7
Mid Mid (pH 6-8) 0.26 0.63 -48.55 4 5 1 63 269.413 7

Activity (Go SEA)

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