UCSF

ZINC37812583

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 2.04 -98.7 4 4 2 52 185.271 1
Hi High (pH 8-9.5) -1.25 -0.48 -7.91 2 4 0 50 183.255 1
Mid Mid (pH 6-8) -1.25 -0.08 -46.39 3 4 1 51 184.263 1
Mid Mid (pH 6-8) -1.25 1.64 -41.11 3 4 1 51 184.263 1

Activity (Go SEA)

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