UCSF

ZINC37081946

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 1.36 3.54 -25.8 3 3 1 34 242.431 5
Hi High (pH 8-9.5) 1.36 4.04 -32.02 3 3 1 34 242.431 5
Mid Mid (pH 6-8) 1.36 5.99 -87.12 4 3 2 35 243.439 5
Mid Mid (pH 6-8) 1.36 3.78 -107.85 4 3 2 35 243.439 5

Activity (Go SEA)

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