UCSF

ZINC45691663

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 15 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) 1.57 6.29 -42.39 1 3 1 31 212.361 8
Hi High (pH 8-9.5) 1.57 3.82 -6.99 0 3 0 30 211.353 8
Lo Low (pH 4.5-6) 1.57 8.11 -101.84 2 3 2 33 213.369 8

Activity (Go SEA)

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