UCSF

ZINC60283653

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 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) -0.98 1.88 -91.11 4 4 2 52 187.287 2
Hi High (pH 8-9.5) -0.98 -1.08 -7.85 2 4 0 50 185.271 2
Mid Mid (pH 6-8) -0.98 1.55 -41.73 3 4 1 51 186.279 2

Activity (Go SEA)

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