UCSF

ZINC21806498

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 4.72 8.22 -38.34 2 2 1 20 318.312 7
Hi High (pH 8-9.5) 4.71 7.21 -1.42 1 2 0 15 317.304 7
Mid Mid (pH 6-8) 4.71 10.13 -113.44 3 2 2 21 319.32 7
Mid Mid (pH 6-8) 4.72 9.13 -31.22 2 2 1 16 318.312 7

Activity (Go SEA)

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