UCSF

ZINC37812584

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 13 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) -1.25 1.98 -98.69 4 4 2 52 185.271 1
Hi High (pH 8-9.5) -1.25 -0.64 -7.93 2 4 0 50 183.255 1
Mid Mid (pH 6-8) -1.25 -0.24 -46.48 3 4 1 51 184.263 1
Mid Mid (pH 6-8) -1.25 1.59 -40.9 3 4 1 51 184.263 1

Activity (Go SEA)

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