UCSF

ZINC53663864

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 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) 0.47 4.09 -91.14 3 4 2 47 182.271 4
Hi High (pH 8-9.5) 0.47 2.56 -9.66 1 4 0 41 180.255 4
Mid Mid (pH 6-8) 0.47 4.11 -83.71 3 4 2 47 182.271 4
Mid Mid (pH 6-8) 0.47 3.99 -40.3 2 4 1 46 181.263 4

Activity (Go SEA)

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