UCSF

ZINC13777017

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 23 No

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) 5.41 7.9 -9.99 1 4 0 54 389.274 3
Ref Reference (pH 7) 4.92 7.68 -44.17 0 4 -1 53 388.266 4
Hi High (pH 8-9.5) 5.87 5.85 -52.37 0 4 -1 58 388.266 3

Activity (Go SEA)

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