UCSF

ZINC38531980

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 16 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) 0.62 3.02 -130.25 4 4 2 52 224.304 3
Hi High (pH 8-9.5) 0.62 0.37 -6.29 2 4 0 43 222.288 3
Hi High (pH 8-9.5) 0.62 1.67 -43.68 3 4 1 47 223.296 3
Hi High (pH 8-9.5) 0.62 1.73 -46.19 3 4 1 47 223.296 3

Activity (Go SEA)

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