UCSF

ZINC44510822

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 17 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) 0.36 1.58 -11.88 2 5 0 71 236.271 4
Hi High (pH 8-9.5) 0.36 3.04 -43.56 2 5 0 76 236.271 4
Mid Mid (pH 6-8) 0.36 2.58 -54.39 1 5 -1 74 235.263 4
Lo Low (pH 4.5-6) 0.36 2.04 -42.84 3 5 1 73 237.279 4

Activity (Go SEA)

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