UCSF

ZINC41681489

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 18 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) 2.05 6.23 -85.74 1 5 -1 71 250.322 6
Hi High (pH 8-9.5) 1.87 4.86 -47.47 1 5 -1 68 250.322 7
Mid Mid (pH 6-8) 1.87 7.12 -62.13 2 5 0 69 251.33 7

Activity (Go SEA)

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